3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide

C12H11N3O — CID 61393054

IUPAC3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccn[nH]1
InChIInChI=1S/C12H11N3O/c16-12(14-11-8-9-13-15-11)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15,16)
InChIKeyAXLOGSRXXNLNCJ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.06
Rot. Bonds3

About 3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide

3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide (PubChem CID 61393054) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide
PubChem CID61393054
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccn[nH]1
InChIInChI=1S/C12H11N3O/c16-12(14-11-8-9-13-15-11)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15,16)
InChIKeyAXLOGSRXXNLNCJ-UHFFFAOYSA-N
XLogP2.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide
CID 70007700
3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393521
(E)-4-oxo-4-(1H-pyrazol-5-ylamino)but-2-enoic acid
CID 71670290
N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 61393043
(E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 110501197
3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393608
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
(E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide
CID 75364810
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
(E)-N-chloro-3-phenylprop-2-enamide
CID 18537372
(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide
CID 102820533
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide?
The IUPAC name of 3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide (CID 61393054) is 3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide.
What is the SMILES notation for 3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide?
The canonical SMILES for 3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide is O=C(C=Cc1ccccc1)Nc1ccn[nH]1.
What is the InChIKey of 3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide?
The InChIKey is AXLOGSRXXNLNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c16-12(14-11-8-9-13-15-11)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15,16).
What are the key properties of 3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide?
3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide has a molecular weight of 213.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 61393054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).