1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide

C10H14N6O — CID 129204988

IUPAC1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide
SMILESCCC(C)n1cc(-c2ncn[nH]2)c(C(N)=O)n1
InChIInChI=1S/C10H14N6O/c1-3-6(2)16-4-7(8(15-16)9(11)17)10-12-5-13-14-10/h4-6H,3H2,1-2H3,(H2,11,17)(H,12,13,14)
InChIKeyJXRQAJQSVXYZFC-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.74
Rot. Bonds4

About 1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide

1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide (PubChem CID 129204988) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide
PubChem CID129204988
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide
SMILESCCC(C)n1cc(-c2ncn[nH]2)c(C(N)=O)n1
InChIInChI=1S/C10H14N6O/c1-3-6(2)16-4-7(8(15-16)9(11)17)10-12-5-13-14-10/h4-6H,3H2,1-2H3,(H2,11,17)(H,12,13,14)
InChIKeyJXRQAJQSVXYZFC-UHFFFAOYSA-N
XLogP0.74
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-isopropyl-1H-pyrazol-5-yl)carbonyl]-4-(4H-1,2,4-triazol-3-ylmethyl)piperazine
CID 121498018
(1-ethylpyrazol-3-yl)-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 124055853
N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 125142947
4-bromo-1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-5-carboxamide
CID 138005705
1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 129204769
1-isopropyl-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1H-pyrazole-3-carboxamide
CID 119068084
1,5-dimethyl-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1H-pyrazole-4-carboxamide
CID 119068401
1-isopropyl-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1H-pyrazole-5-carboxamide
CID 121513024
3-methyl-1-propyl-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1H-pyrazole-4-carboxamide
CID 124206905
[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanone
CID 132365182
N-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide
CID 129204803
1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide
CID 129204806

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide (CID 129204988) is 1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide is CCC(C)n1cc(-c2ncn[nH]2)c(C(N)=O)n1.
What is the InChIKey of 1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide?
The InChIKey is JXRQAJQSVXYZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-3-6(2)16-4-7(8(15-16)9(11)17)10-12-5-13-14-10/h4-6H,3H2,1-2H3,(H2,11,17)(H,12,13,14).
What are the key properties of 1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide?
1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 129204988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).