N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide

C12H16N6O — CID 118781482

IUPACN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide
SMILESO=C(NCCCn1nccc1C1CC1)c1cn[nH]n1
InChIInChI=1S/C12H16N6O/c19-12(10-8-14-17-16-10)13-5-1-7-18-11(4-6-15-18)9-2-3-9/h4,6,8-9H,1-3,5,7H2,(H,13,19)(H,14,16,17)
InChIKeyHINSFNLMJIDGCI-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.70
Rot. Bonds6

About N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide

N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide (PubChem CID 118781482) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide
PubChem CID118781482
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide
SMILESO=C(NCCCn1nccc1C1CC1)c1cn[nH]n1
InChIInChI=1S/C12H16N6O/c19-12(10-8-14-17-16-10)13-5-1-7-18-11(4-6-15-18)9-2-3-9/h4,6,8-9H,1-3,5,7H2,(H,13,19)(H,14,16,17)
InChIKeyHINSFNLMJIDGCI-UHFFFAOYSA-N
XLogP0.70
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]acetamide
CID 4765525
3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]propanamide
CID 4770006
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-1,2,3-triazole-5-carboxamide
CID 56892131
1-(2-aminoethyl)-N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-1,2,3-triazole-4-carboxamide
CID 70705811
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,5-dimethyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72940539
1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide
CID 42289904
1-(cis-4-aminocyclohexyl)-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 70714245
1-methyl-N-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 91629666
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 75456921
N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-1H-pyrazole-4-carboxamide
CID 77092254
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-4-(1H-pyrazol-1-yl)butanamide
CID 124204827
N-{3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1-methyl-1H-pyrazole-3-carboxamide
CID 4770278

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide (CID 118781482) is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide is O=C(NCCCn1nccc1C1CC1)c1cn[nH]n1.
What is the InChIKey of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide?
The InChIKey is HINSFNLMJIDGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c19-12(10-8-14-17-16-10)13-5-1-7-18-11(4-6-15-18)9-2-3-9/h4,6,8-9H,1-3,5,7H2,(H,13,19)(H,14,16,17).
What are the key properties of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide?
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 118781482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).