5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide

C12H17N3O — CID 47158112

IUPAC5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(C2CC2)[nH]n1)C1CC1
InChIInChI=1S/C12H17N3O/c1-7(8-2-3-8)13-12(16)11-6-10(14-15-11)9-4-5-9/h6-9H,2-5H2,1H3,(H,13,16)(H,14,15)
InChIKeyFKYYNBUSSSNCDP-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.82
Rot. Bonds4

About 5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 47158112) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
PubChem CID47158112
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(C2CC2)[nH]n1)C1CC1
InChIInChI=1S/C12H17N3O/c1-7(8-2-3-8)13-12(16)11-6-10(14-15-11)9-4-5-9/h6-9H,2-5H2,1H3,(H,13,16)(H,14,15)
InChIKeyFKYYNBUSSSNCDP-UHFFFAOYSA-N
XLogP1.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-N-(1-hydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146085389
5-cyclopropyl-N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]-1H-pyrazole-3-carboxamide
CID 51853296
5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 47161141
5-cyclopropyl-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 97008317
5-cyclopropyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 126448270
methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate
CID 47158124
5-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 43057191
5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 97073717
3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541340
5-cyclopropyl-N-(1-naphthalen-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 46577659
5-cyclopropyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 92582403
N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119495448

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide (CID 47158112) is 5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide is CC(NC(=O)c1cc(C2CC2)[nH]n1)C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is FKYYNBUSSSNCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7(8-2-3-8)13-12(16)11-6-10(14-15-11)9-4-5-9/h6-9H,2-5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47158112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).