4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide

C122H124F6N22O12 — CID 167649035

IUPAC4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1-n1cccn1.CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C1CC1.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1-n1cccn1.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1C1CC1
InChIInChI=1S/2C21H21N5O2.2C21H23N3O2.2C19H18F3N3O2/c1-3-28-20-12-16(6-8-19(20)26-10-4-9-23-26)21(27)25(2)14-15-5-7-18-17(11-15)13-22-24-18;1-3-28-20-12-16(7-8-19(20)26-10-4-9-23-26)21(27)25(2)14-15-5-6-17-13-22-24-18(17)11-15;1-3-26-20-11-16(7-8-18(20)15-5-6-15)21(25)24(2)13-14-4-9-19-17(10-14)12-22-23-19;1-3-26-20-11-16(8-9-18(20)15-6-7-15)21(25)24(2)13-14-4-5-17-12-22-23-19(17)10-14;1-3-27-17-9-13(5-6-15(17)19(20,21)22)18(26)25(2)11-12-4-7-16-14(8-12)10-23-24-16;1-3-27-17-9-13(6-7-15(17)19(20,21)22)18(26)25(2)11-12-4-5-14-10-23-24-16(14)8-12/h2*4-13H,3,14H2,1-2H3,(H,22,24);4,7-12,15H,3,5-6,13H2,1-2H3,(H,22,23);4-5,8-12,15H,3,6-7,13H2,1-2H3,(H,22,23);2*4-10H,3,11H2,1-2H3,(H,23,24)
InChIKeyQHNSTUXNCYXTAN-UHFFFAOYSA-N
MW2204.46 g/mol
LogP23.57
Rot. Bonds34

About 4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide

4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide (PubChem CID 167649035) has the molecular formula C122H124F6N22O12 and a molecular weight of 2204.46 g/mol. Its IUPAC name is 4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
PubChem CID167649035
Molecular FormulaC122H124F6N22O12
Molecular Weight2204.46 g/mol
Exact Mass2202.97
IUPAC Name4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1-n1cccn1.CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C1CC1.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1-n1cccn1.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1C1CC1
InChIInChI=1S/2C21H21N5O2.2C21H23N3O2.2C19H18F3N3O2/c1-3-28-20-12-16(6-8-19(20)26-10-4-9-23-26)21(27)25(2)14-15-5-7-18-17(11-15)13-22-24-18;1-3-28-20-12-16(7-8-19(20)26-10-4-9-23-26)21(27)25(2)14-15-5-6-17-13-22-24-18(17)11-15;1-3-26-20-11-16(7-8-18(20)15-5-6-15)21(25)24(2)13-14-4-9-19-17(10-14)12-22-23-19;1-3-26-20-11-16(8-9-18(20)15-6-7-15)21(25)24(2)13-14-4-5-17-12-22-23-19(17)10-14;1-3-27-17-9-13(5-6-15(17)19(20,21)22)18(26)25(2)11-12-4-7-16-14(8-12)10-23-24-16;1-3-27-17-9-13(6-7-15(17)19(20,21)22)18(26)25(2)11-12-4-5-14-10-23-24-16(14)8-12/h2*4-13H,3,14H2,1-2H3,(H,22,24);4,7-12,15H,3,5-6,13H2,1-2H3,(H,22,23);4-5,8-12,15H,3,6-7,13H2,1-2H3,(H,22,23);2*4-10H,3,11H2,1-2H3,(H,23,24)
InChIKeyQHNSTUXNCYXTAN-UHFFFAOYSA-N
XLogP23.57
TPSA384.96 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds34
Heavy Atoms162
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002204.46
LogP ≤ 523.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of 4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide (CID 167649035) is 4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide is CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1-n1cccn1.CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C1CC1.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1-n1cccn1.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is QHNSTUXNCYXTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21N5O2.2C21H23N3O2.2C19H18F3N3O2/c1-3-28-20-12-16(6-8-19(20)26-10-4-9-23-26)21(27)25(2)14-15-5-7-18-17(11-15)13-22-24-18;1-3-28-20-12-16(7-8-19(20)26-10-4-9-23-26)21(27)25(2)14-15-5-6-17-13-22-24-18(17)11-15;1-3-26-20-11-16(7-8-18(20)15-5-6-15)21(25)24(2)13-14-4-9-19-17(10-14)12-22-23-19;1-3-26-20-11-16(8-9-18(20)15-6-7-15)21(25)24(2)13-14-4-5-17-12-22-23-19(17)10-14;1-3-27-17-9-13(5-6-15(17)19(20,21)22)18(26)25(2)11-12-4-7-16-14(8-12)10-23-24-16;1-3-27-17-9-13(6-7-15(17)19(20,21)22)18(26)25(2)11-12-4-5-14-10-23-24-16(14)8-12/h2*4-13H,3,14H2,1-2H3,(H,22,24);4,7-12,15H,3,5-6,13H2,1-2H3,(H,22,23);4-5,8-12,15H,3,6-7,13H2,1-2H3,(H,22,23);2*4-10H,3,11H2,1-2H3,(H,23,24).
What are the key properties of 4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 2204.46 g/mol, XLogP of 23.57, 34 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 167649035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).