5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide

C16H19N3O — CID 20918125

IUPAC5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(CNC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-11(12-5-3-2-4-6-12)10-17-16(20)15-9-14(18-19-15)13-7-8-13/h2-6,9,11,13H,7-8,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyFXTMHBMZWJFXTB-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.82
Rot. Bonds5

About 5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 20918125) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID20918125
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(CNC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-11(12-5-3-2-4-6-12)10-17-16(20)15-9-14(18-19-15)13-7-8-13/h2-6,9,11,13H,7-8,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyFXTMHBMZWJFXTB-UHFFFAOYSA-N
XLogP2.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide (CID 20918125) is 5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide is CC(CNC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1.
What is the InChIKey of 5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is FXTMHBMZWJFXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(12-5-3-2-4-6-12)10-17-16(20)15-9-14(18-19-15)13-7-8-13/h2-6,9,11,13H,7-8,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 20918125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).