2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide

C16H14N4O — CID 18152814

IUPAC2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1ccncc1
InChIInChI=1S/C16H14N4O/c21-16(19-14-6-8-17-9-7-14)10-13-11-18-20(12-13)15-4-2-1-3-5-15/h1-9,11-12H,10H2,(H,17,19,21)
InChIKeyRUYSMSYBABOKIH-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.45
Rot. Bonds4

About 2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide

2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide (PubChem CID 18152814) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
PubChem CID18152814
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1ccncc1
InChIInChI=1S/C16H14N4O/c21-16(19-14-6-8-17-9-7-14)10-13-11-18-20(12-13)15-4-2-1-3-5-15/h1-9,11-12H,10H2,(H,17,19,21)
InChIKeyRUYSMSYBABOKIH-UHFFFAOYSA-N
XLogP2.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 26288105
N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46666185
2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46535527
N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 32639224
2-(1-phenylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 39166946
2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 38359488
2-(1-phenylpyrazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370870
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152085
3-fluorosulfonyloxy-5-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]pyridine
CID 154873161
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 36677114

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide (CID 18152814) is 2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide is O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccncc1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide?
The InChIKey is RUYSMSYBABOKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(19-14-6-8-17-9-7-14)10-13-11-18-20(12-13)15-4-2-1-3-5-15/h1-9,11-12H,10H2,(H,17,19,21).
What are the key properties of 2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide?
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide has a molecular weight of 278.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 18152814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).