3-(3-phenylpyrazol-1-yl)propanamide

C12H13N3O — CID 19835817

IUPAC3-(3-phenylpyrazol-1-yl)propanamide
SMILESNC(=O)CCn1ccc(-c2ccccc2)n1
InChIInChI=1S/C12H13N3O/c13-12(16)7-9-15-8-6-11(14-15)10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H2,13,16)
InChIKeyWCWYFCMKSASEIB-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.43
Rot. Bonds4

About 3-(3-phenylpyrazol-1-yl)propanamide

3-(3-phenylpyrazol-1-yl)propanamide (PubChem CID 19835817) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(3-phenylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-phenylpyrazol-1-yl)propanamide
PubChem CID19835817
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(3-phenylpyrazol-1-yl)propanamide
SMILESNC(=O)CCn1ccc(-c2ccccc2)n1
InChIInChI=1S/C12H13N3O/c13-12(16)7-9-15-8-6-11(14-15)10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H2,13,16)
InChIKeyWCWYFCMKSASEIB-UHFFFAOYSA-N
XLogP1.43
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpyrazol-1-yl)propanamide?
The IUPAC name of 3-(3-phenylpyrazol-1-yl)propanamide (CID 19835817) is 3-(3-phenylpyrazol-1-yl)propanamide.
What is the SMILES notation for 3-(3-phenylpyrazol-1-yl)propanamide?
The canonical SMILES for 3-(3-phenylpyrazol-1-yl)propanamide is NC(=O)CCn1ccc(-c2ccccc2)n1.
What is the InChIKey of 3-(3-phenylpyrazol-1-yl)propanamide?
The InChIKey is WCWYFCMKSASEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12(16)7-9-15-8-6-11(14-15)10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H2,13,16).
What are the key properties of 3-(3-phenylpyrazol-1-yl)propanamide?
3-(3-phenylpyrazol-1-yl)propanamide has a molecular weight of 215.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19835817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).