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

C18H22N6O — CID 131897060

IUPAC1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1
InChIInChI=1S/C18H22N6O/c1-5-24-16(10-15(23-24)11(2)3)18(25)20-14-8-6-13(7-9-14)17-19-12(4)21-22-17/h6-11H,5H2,1-4H3,(H,20,25)(H,19,21,22)
InChIKeyNRFUVXISOGXUEZ-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.37
Rot. Bonds5

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

1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 131897060) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID131897060
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1
InChIInChI=1S/C18H22N6O/c1-5-24-16(10-15(23-24)11(2)3)18(25)20-14-8-6-13(7-9-14)17-19-12(4)21-22-17/h6-11H,5H2,1-4H3,(H,20,25)(H,19,21,22)
InChIKeyNRFUVXISOGXUEZ-UHFFFAOYSA-N
XLogP3.37
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-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

2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131930825
1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[(1R)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea
CID 124757879
1-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 104620244
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
3-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 46105428
1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 131926620
2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 77113127
(2S)-2-amino-4-methylsulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride
CID 119311507
1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 71935421
2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 90745562
N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66120978
2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide
CID 131946446

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 131897060) is 1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1.
What is the InChIKey of 1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is NRFUVXISOGXUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-5-24-16(10-15(23-24)11(2)3)18(25)20-14-8-6-13(7-9-14)17-19-12(4)21-22-17/h6-11H,5H2,1-4H3,(H,20,25)(H,19,21,22).
What are the key properties of 1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 131897060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).