5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide

C19H18N4O — CID 74235280

IUPAC5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccncc1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H18N4O/c24-19(17-12-16(22-23-17)13-6-7-13)21-18(14-4-2-1-3-5-14)15-8-10-20-11-9-15/h1-5,8-13,18H,6-7H2,(H,21,24)(H,22,23)
InChIKeyZBVWCKQSPLELFA-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.20
Rot. Bonds5

About 5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 74235280) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID74235280
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccncc1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H18N4O/c24-19(17-12-16(22-23-17)13-6-7-13)21-18(14-4-2-1-3-5-14)15-8-10-20-11-9-15/h1-5,8-13,18H,6-7H2,(H,21,24)(H,22,23)
InChIKeyZBVWCKQSPLELFA-UHFFFAOYSA-N
XLogP3.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide (CID 74235280) is 5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide is O=C(NC(c1ccccc1)c1ccncc1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZBVWCKQSPLELFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(17-12-16(22-23-17)13-6-7-13)21-18(14-4-2-1-3-5-14)15-8-10-20-11-9-15/h1-5,8-13,18H,6-7H2,(H,21,24)(H,22,23).
What are the key properties of 5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[phenyl(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 74235280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).