N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide

C16H19N3O — CID 95749422

IUPACN-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cnn(CC2CC2)c1
InChIInChI=1S/C16H19N3O/c20-16(9-8-13-4-2-1-3-5-13)18-15-10-17-19(12-15)11-14-6-7-14/h1-5,10,12,14H,6-9,11H2,(H,18,20)
InChIKeyHVLDFMCGLFDVAT-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.86
Rot. Bonds6

About N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide

N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide (PubChem CID 95749422) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide
PubChem CID95749422
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cnn(CC2CC2)c1
InChIInChI=1S/C16H19N3O/c20-16(9-8-13-4-2-1-3-5-13)18-15-10-17-19(12-15)11-14-6-7-14/h1-5,10,12,14H,6-9,11H2,(H,18,20)
InChIKeyHVLDFMCGLFDVAT-UHFFFAOYSA-N
XLogP2.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide
CID 95749314
N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 90622617
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704
N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-phenylpentanamide
CID 90622730
N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide
CID 55947082
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 95749448
4-(1,3-dioxoisoindol-2-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622248
N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide
CID 95744788
3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide
CID 90622084
4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 95749420

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide (CID 95749422) is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cnn(CC2CC2)c1.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide?
The InChIKey is HVLDFMCGLFDVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(9-8-13-4-2-1-3-5-13)18-15-10-17-19(12-15)11-14-6-7-14/h1-5,10,12,14H,6-9,11H2,(H,18,20).
What are the key properties of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide?
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide has a molecular weight of 269.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 95749422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).