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

C17H21N7O — CID 131921930

IUPAC3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1[nH]nc(N)c1-c1ccccc1)c1nncn1C(C)C
InChIInChI=1S/C17H21N7O/c1-10(2)24-9-19-23-16(24)11(3)20-17(25)14-13(15(18)22-21-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,25)(H3,18,21,22)
InChIKeyVHVNDQKPIUATQX-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.32
Rot. Bonds5

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

3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 131921930) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID131921930
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1[nH]nc(N)c1-c1ccccc1)c1nncn1C(C)C
InChIInChI=1S/C17H21N7O/c1-10(2)24-9-19-23-16(24)11(3)20-17(25)14-13(15(18)22-21-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,25)(H3,18,21,22)
InChIKeyVHVNDQKPIUATQX-UHFFFAOYSA-N
XLogP2.32
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 126430865
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118767768
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyrimidin-5-ylbenzamide
CID 119066722
2-(2-oxo-1-pyridinyl)-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 126450812
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 56889674
(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164695047
2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide
CID 72883314
6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 125164685
9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 118767465
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]benzoic acid
CID 60941368
ethyl 2-phenyl-2-(4-propan-2-yl-1,2,4-triazol-3-yl)acetate
CID 79472734
2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 54878197

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 131921930) is 3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide is CC(NC(=O)c1[nH]nc(N)c1-c1ccccc1)c1nncn1C(C)C.
What is the InChIKey of 3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is VHVNDQKPIUATQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-10(2)24-9-19-23-16(24)11(3)20-17(25)14-13(15(18)22-21-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,25)(H3,18,21,22).
What are the key properties of 3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-phenyl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 131921930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).