N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide

C17H20ClN7O — CID 166229885

IUPACN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(-c2n[nH]c(CN)n2)cc1
InChIInChI=1S/C17H20ClN7O/c1-9(2)14-13(15(18)25(3)24-14)17(26)20-11-6-4-10(5-7-11)16-21-12(8-19)22-23-16/h4-7,9H,8,19H2,1-3H3,(H,20,26)(H,21,22,23)
InChIKeyPSYGSWIIELYUCI-UHFFFAOYSA-N
MW373.85 g/mol
LogP2.69
Rot. Bonds5

About N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide

N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide (PubChem CID 166229885) has the molecular formula C17H20ClN7O and a molecular weight of 373.85 g/mol. Its IUPAC name is N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
PubChem CID166229885
Molecular FormulaC17H20ClN7O
Molecular Weight373.85 g/mol
Exact Mass373.14
IUPAC NameN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(-c2n[nH]c(CN)n2)cc1
InChIInChI=1S/C17H20ClN7O/c1-9(2)14-13(15(18)25(3)24-14)17(26)20-11-6-4-10(5-7-11)16-21-12(8-19)22-23-16/h4-7,9H,8,19H2,1-3H3,(H,20,26)(H,21,22,23)
InChIKeyPSYGSWIIELYUCI-UHFFFAOYSA-N
XLogP2.69
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-(3-methylbutyl)triazole-4-carboxamide
CID 120566761
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-methylpentanamide;hydrochloride
CID 120566330
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 120566691
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-methyl-3-methylsulfanylpropanamide
CID 120566883
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120566642
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120566235
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167762724
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(diethylamino)acetamide;dihydrochloride
CID 120566238
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-[4-(2-methylpropyl)phenyl]acetamide;hydrochloride
CID 120567060
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-ethylsulfanyl-3-methylbutanamide
CID 120566631
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide
CID 120566661
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
CID 120566104

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide (CID 166229885) is N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide is CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(-c2n[nH]c(CN)n2)cc1.
What is the InChIKey of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is PSYGSWIIELYUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7O/c1-9(2)14-13(15(18)25(3)24-14)17(26)20-11-6-4-10(5-7-11)16-21-12(8-19)22-23-16/h4-7,9H,8,19H2,1-3H3,(H,20,26)(H,21,22,23).
What are the key properties of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide?
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 373.85 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 166229885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).