5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide

C16H19N3O — CID 47161141

IUPAC5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C16H19N3O/c1-10-3-5-12(6-4-10)11(2)17-16(20)15-9-14(18-19-15)13-7-8-13/h3-6,9,11,13H,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUSYYVADJRPIYLL-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.09
Rot. Bonds4

About 5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 47161141) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID47161141
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C16H19N3O/c1-10-3-5-12(6-4-10)11(2)17-16(20)15-9-14(18-19-15)13-7-8-13/h3-6,9,11,13H,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUSYYVADJRPIYLL-UHFFFAOYSA-N
XLogP3.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
CID 47158112
5-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 43057191
5-cyclopropyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 126448270
5-cyclopropyl-N-(1-hydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146085389
5-cyclopropyl-N-(1-naphthalen-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 46577659
5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 760934
5-cyclopropyl-N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]-1H-pyrazole-3-carboxamide
CID 51853296
5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 74235280
methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate
CID 47158124
5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 20918125
5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 167867029
5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 47161122

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide (CID 47161141) is 5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide is Cc1ccc(C(C)NC(=O)c2cc(C3CC3)[nH]n2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is USYYVADJRPIYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-3-5-12(6-4-10)11(2)17-16(20)15-9-14(18-19-15)13-7-8-13/h3-6,9,11,13H,7-8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.09, 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-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47161141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).