1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide

C14H22N6O — CID 119065761

IUPAC1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide
SMILESCCCn1ncnc1C(C)NC(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C14H22N6O/c1-5-7-20-13(15-9-16-20)11(4)17-14(21)12-6-8-19(18-12)10(2)3/h6,8-11H,5,7H2,1-4H3,(H,17,21)
InChIKeyXKRAZOMBUMHGIU-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.96
Rot. Bonds6

About 1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide

1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 119065761) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide
PubChem CID119065761
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide
SMILESCCCn1ncnc1C(C)NC(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C14H22N6O/c1-5-7-20-13(15-9-16-20)11(4)17-14(21)12-6-8-19(18-12)10(2)3/h6,8-11H,5,7H2,1-4H3,(H,17,21)
InChIKeyXKRAZOMBUMHGIU-UHFFFAOYSA-N
XLogP1.96
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-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-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 125446457
3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 125175780
4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 122563851
6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide
CID 124907211
3-fluoro-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 125441790
2-benzyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 97042057
4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 95148939
2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122570467
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439874
N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439875
5-fluoro-1,3-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]indole-2-carboxamide
CID 118772799
formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 154907579

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide (CID 119065761) is 1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide is CCCn1ncnc1C(C)NC(=O)c1ccn(C(C)C)n1.
What is the InChIKey of 1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is XKRAZOMBUMHGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-5-7-20-13(15-9-16-20)11(4)17-14(21)12-6-8-19(18-12)10(2)3/h6,8-11H,5,7H2,1-4H3,(H,17,21).
What are the key properties of 1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide?
1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 119065761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).