4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide

C21H25N5O — CID 70717359

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C)Cc3n[nH]c4c3CCCC4)cc2)n1
InChIInChI=1S/C21H25N5O/c1-14-12-15(2)26(24-14)17-10-8-16(9-11-17)21(27)25(3)13-20-18-6-4-5-7-19(18)22-23-20/h8-12H,4-7,13H2,1-3H3,(H,22,23)
InChIKeyIYOXIPADABIBML-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.36
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide (PubChem CID 70717359) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
PubChem CID70717359
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C)Cc3n[nH]c4c3CCCC4)cc2)n1
InChIInChI=1S/C21H25N5O/c1-14-12-15(2)26(24-14)17-10-8-16(9-11-17)21(27)25(3)13-20-18-6-4-5-7-19(18)22-23-20/h8-12H,4-7,13H2,1-3H3,(H,22,23)
InChIKeyIYOXIPADABIBML-UHFFFAOYSA-N
XLogP3.36
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide with MolForge

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide
CID 91832695
2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-methylamino]acetic acid
CID 119172398
4-(azepan-1-ylmethyl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)benzamide
CID 135090165
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26912749
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26071977
2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide
CID 42276002
N-[(2S)-2,3-dihydroxypropyl]-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 95121318
N,4-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137339686
4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 119058792
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide
CID 119061772
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
CID 26396856
N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 42170626

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide (CID 70717359) is 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3n[nH]c4c3CCCC4)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide?
The InChIKey is IYOXIPADABIBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-12-15(2)26(24-14)17-10-8-16(9-11-17)21(27)25(3)13-20-18-6-4-5-7-19(18)22-23-20/h8-12H,4-7,13H2,1-3H3,(H,22,23).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide has a molecular weight of 363.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide is sourced from PubChem (CID 70717359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).