2-(4-aminopyrazol-1-yl)-N-phenylpropanamide

C12H14N4O — CID 43116751

IUPAC2-(4-aminopyrazol-1-yl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)n1cc(N)cn1
InChIInChI=1S/C12H14N4O/c1-9(16-8-10(13)7-14-16)12(17)15-11-5-3-2-4-6-11/h2-9H,13H2,1H3,(H,15,17)
InChIKeySGLXXZVDAMHXJP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.66
Rot. Bonds3

About 2-(4-aminopyrazol-1-yl)-N-phenylpropanamide

2-(4-aminopyrazol-1-yl)-N-phenylpropanamide (PubChem CID 43116751) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-phenylpropanamide
PubChem CID43116751
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(4-aminopyrazol-1-yl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)n1cc(N)cn1
InChIInChI=1S/C12H14N4O/c1-9(16-8-10(13)7-14-16)12(17)15-11-5-3-2-4-6-11/h2-9H,13H2,1H3,(H,15,17)
InChIKeySGLXXZVDAMHXJP-UHFFFAOYSA-N
XLogP1.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide
CID 64780083
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
(2R)-N-(4-methylphenyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938415
4-[[(2S)-2-(4-nitropyrazol-1-yl)propanoyl]amino]benzamide
CID 831802
(2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide
CID 97069870
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide
CID 124938277
1-[1-[4-(diethylamino)anilino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504874
N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 54909721
2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 45153789
2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide
CID 45153765
(2R)-2-amino-N-phenylpropanamide
CID 10607114
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504919

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-phenylpropanamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-phenylpropanamide (CID 43116751) is 2-(4-aminopyrazol-1-yl)-N-phenylpropanamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-phenylpropanamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)n1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-phenylpropanamide?
The InChIKey is SGLXXZVDAMHXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9(16-8-10(13)7-14-16)12(17)15-11-5-3-2-4-6-11/h2-9H,13H2,1H3,(H,15,17).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-phenylpropanamide?
2-(4-aminopyrazol-1-yl)-N-phenylpropanamide has a molecular weight of 230.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 43116751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).