5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide

C12H16N6O — CID 92582403

IUPAC5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide
SMILESC[C@H](Cn1cncn1)NC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C12H16N6O/c1-8(5-18-7-13-6-14-18)15-12(19)11-4-10(16-17-11)9-2-3-9/h4,6-9H,2-3,5H2,1H3,(H,15,19)(H,16,17)/t8-/m1/s1
InChIKeyRQFMBZJIDHMNNL-MRVPVSSYSA-N
MW260.30 g/mol
LogP0.70
Rot. Bonds5

About 5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 92582403) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID92582403
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide
SMILESC[C@H](Cn1cncn1)NC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C12H16N6O/c1-8(5-18-7-13-6-14-18)15-12(19)11-4-10(16-17-11)9-2-3-9/h4,6-9H,2-3,5H2,1H3,(H,15,19)(H,16,17)/t8-/m1/s1
InChIKeyRQFMBZJIDHMNNL-MRVPVSSYSA-N
XLogP0.70
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

Analyze 5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-(1-hydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146085389
N-[(2R)-1-(3-cycloheptylpyrazol-1-yl)propan-2-yl]-5-[(5S)-5-methylcyclononyl]-1H-pyrazole-3-carboxamide
CID 135296518
5-cyclopropyl-N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]-1H-pyrazole-3-carboxamide
CID 51853296
5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
CID 47158112
5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide
CID 86846020
5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 47161141
5-pyrrolidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide;dihydrochloride
CID 120603291
3-hydroxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 154805729
5-cyclopropyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 126448270
4-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]thiadiazole-5-carboxamide
CID 110226454
5-cyclopropyl-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119500515
5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 91782567

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide (CID 92582403) is 5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide is C[C@H](Cn1cncn1)NC(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is RQFMBZJIDHMNNL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-8(5-18-7-13-6-14-18)15-12(19)11-4-10(16-17-11)9-2-3-9/h4,6-9H,2-3,5H2,1H3,(H,15,19)(H,16,17)/t8-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 92582403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).