4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide

C73H94F5N23O6 — CID 165044157

IUPAC4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCOc1cc(CN)cc(F)c1-n1nc(C(C)C)c(N)c1C(N)=O.CCc1ccc(-n2nc(C(C)C)c(N)c2C(N)=O)c(F)c1.CCc1ccc(-n2nc(C(C)C)c(N)c2C(N)=O)cc1.Cc1cc(CN)ccc1-n1nc(C(C)C)c(N)c1C(N)=O.NCc1ccc(-n2nc(C(F)(F)F)c(N)c2C(N)=O)cc1
InChIInChI=1S/C16H22FN5O2.C15H19FN4O.C15H21N5O.C15H20N4O.C12H12F3N5O/c1-4-24-11-6-9(7-18)5-10(17)14(11)22-15(16(20)23)12(19)13(21-22)8(2)3;1-4-9-5-6-11(10(16)7-9)20-14(15(18)21)12(17)13(19-20)8(2)3;1-8(2)13-12(17)14(15(18)21)20(19-13)11-5-4-10(7-16)6-9(11)3;1-4-10-5-7-11(8-6-10)19-14(15(17)20)12(16)13(18-19)9(2)3;13-12(14,15)10-8(17)9(11(18)21)20(19-10)7-3-1-6(5-16)2-4-7/h5-6,8H,4,7,18-19H2,1-3H3,(H2,20,23);5-8H,4,17H2,1-3H3,(H2,18,21);4-6,8H,7,16-17H2,1-3H3,(H2,18,21);5-9H,4,16H2,1-3H3,(H2,17,20);1-4H,5,16-17H2,(H2,18,21)
InChIKeyOPSVIHHRFLQQBE-UHFFFAOYSA-N
MW1484.70 g/mol
LogP8.77
Rot. Bonds21

About 4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide

4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 165044157) has the molecular formula C73H94F5N23O6 and a molecular weight of 1484.70 g/mol. Its IUPAC name is 4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID165044157
Molecular FormulaC73H94F5N23O6
Molecular Weight1484.70 g/mol
Exact Mass1483.77
IUPAC Name4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCOc1cc(CN)cc(F)c1-n1nc(C(C)C)c(N)c1C(N)=O.CCc1ccc(-n2nc(C(C)C)c(N)c2C(N)=O)c(F)c1.CCc1ccc(-n2nc(C(C)C)c(N)c2C(N)=O)cc1.Cc1cc(CN)ccc1-n1nc(C(C)C)c(N)c1C(N)=O.NCc1ccc(-n2nc(C(F)(F)F)c(N)c2C(N)=O)cc1
InChIInChI=1S/C16H22FN5O2.C15H19FN4O.C15H21N5O.C15H20N4O.C12H12F3N5O/c1-4-24-11-6-9(7-18)5-10(17)14(11)22-15(16(20)23)12(19)13(21-22)8(2)3;1-4-9-5-6-11(10(16)7-9)20-14(15(18)21)12(17)13(19-20)8(2)3;1-8(2)13-12(17)14(15(18)21)20(19-13)11-5-4-10(7-16)6-9(11)3;1-4-10-5-7-11(8-6-10)19-14(15(17)20)12(16)13(18-19)9(2)3;13-12(14,15)10-8(17)9(11(18)21)20(19-10)7-3-1-6(5-16)2-4-7/h5-6,8H,4,7,18-19H2,1-3H3,(H2,20,23);5-8H,4,17H2,1-3H3,(H2,18,21);4-6,8H,7,16-17H2,1-3H3,(H2,18,21);5-9H,4,16H2,1-3H3,(H2,17,20);1-4H,5,16-17H2,(H2,18,21)
InChIKeyOPSVIHHRFLQQBE-UHFFFAOYSA-N
XLogP8.77
TPSA521.94 Ų
H-Bond Donors13
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001484.70
LogP ≤ 58.77
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1024

Analyze 4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide (CID 165044157) is 4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide is CCOc1cc(CN)cc(F)c1-n1nc(C(C)C)c(N)c1C(N)=O.CCc1ccc(-n2nc(C(C)C)c(N)c2C(N)=O)c(F)c1.CCc1ccc(-n2nc(C(C)C)c(N)c2C(N)=O)cc1.Cc1cc(CN)ccc1-n1nc(C(C)C)c(N)c1C(N)=O.NCc1ccc(-n2nc(C(F)(F)F)c(N)c2C(N)=O)cc1.
What is the InChIKey of 4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is OPSVIHHRFLQQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O2.C15H19FN4O.C15H21N5O.C15H20N4O.C12H12F3N5O/c1-4-24-11-6-9(7-18)5-10(17)14(11)22-15(16(20)23)12(19)13(21-22)8(2)3;1-4-9-5-6-11(10(16)7-9)20-14(15(18)21)12(17)13(19-20)8(2)3;1-8(2)13-12(17)14(15(18)21)20(19-13)11-5-4-10(7-16)6-9(11)3;1-4-10-5-7-11(8-6-10)19-14(15(17)20)12(16)13(18-19)9(2)3;13-12(14,15)10-8(17)9(11(18)21)20(19-10)7-3-1-6(5-16)2-4-7/h5-6,8H,4,7,18-19H2,1-3H3,(H2,20,23);5-8H,4,17H2,1-3H3,(H2,18,21);4-6,8H,7,16-17H2,1-3H3,(H2,18,21);5-9H,4,16H2,1-3H3,(H2,17,20);1-4H,5,16-17H2,(H2,18,21).
What are the key properties of 4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide?
4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 1484.70 g/mol, XLogP of 8.77, 21 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(aminomethyl)-2-ethoxy-6-fluorophenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)-2-methylphenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-(4-ethylphenyl)-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 165044157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).