5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide

C15H22N6O — CID 166309348

IUPAC5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide
SMILESCC(C)c1cc(NC(=O)c2n[nH]nc2C2CC2)n(C(C)C)n1
InChIInChI=1S/C15H22N6O/c1-8(2)11-7-12(21(19-11)9(3)4)16-15(22)14-13(10-5-6-10)17-20-18-14/h7-10H,5-6H2,1-4H3,(H,16,22)(H,17,18,20)
InChIKeyBKVHAAZPJLIKBL-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.84
Rot. Bonds5

About 5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide

5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide (PubChem CID 166309348) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide
PubChem CID166309348
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide
SMILESCC(C)c1cc(NC(=O)c2n[nH]nc2C2CC2)n(C(C)C)n1
InChIInChI=1S/C15H22N6O/c1-8(2)11-7-12(21(19-11)9(3)4)16-15(22)14-13(10-5-6-10)17-20-18-14/h7-10H,5-6H2,1-4H3,(H,16,22)(H,17,18,20)
InChIKeyBKVHAAZPJLIKBL-UHFFFAOYSA-N
XLogP2.84
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide
CID 62077396
3-cyclopropyl-1-ethyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)pyrazole-5-carboxamide
CID 138017663
N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide
CID 167938964
5-cyclobutyl-2H-triazole-4-carboxylic acid
CID 105433344
4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62077622
4-amino-5-cyclopropyl-N-(2-methylpyrazol-3-yl)-1H-pyrazole-3-carboxamide
CID 62079918
4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
CID 45284687
N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]phenyl]methyl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide
CID 166390213
[1,3-di(propan-2-yl)pyrazol-5-yl]methanol
CID 167336895
5-piperidin-4-yl-2H-triazole-4-carboxylic acid
CID 103123476
methyl 6-cyclopropyl-3-methyl-1-[2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-4-carboxylate
CID 171315076
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methoxyacetamide
CID 134797788

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide (CID 166309348) is 5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide is CC(C)c1cc(NC(=O)c2n[nH]nc2C2CC2)n(C(C)C)n1.
What is the InChIKey of 5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide?
The InChIKey is BKVHAAZPJLIKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-8(2)11-7-12(21(19-11)9(3)4)16-15(22)14-13(10-5-6-10)17-20-18-14/h7-10H,5-6H2,1-4H3,(H,16,22)(H,17,18,20).
What are the key properties of 5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide?
5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 166309348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).