N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

C19H16N4O — CID 134035531

IUPACN-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESN#Cc1ccc(CNC(=O)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H16N4O/c20-11-15-6-8-16(9-7-15)12-21-19(24)10-17-13-22-23(14-17)18-4-2-1-3-5-18/h1-9,13-14H,10,12H2,(H,21,24)
InChIKeyMQDSVTPJRNPRJT-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.60
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 134035531) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID134035531
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESN#Cc1ccc(CNC(=O)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H16N4O/c20-11-15-6-8-16(9-7-15)12-21-19(24)10-17-13-22-23(14-17)18-4-2-1-3-5-18/h1-9,13-14H,10,12H2,(H,21,24)
InChIKeyMQDSVTPJRNPRJT-UHFFFAOYSA-N
XLogP2.60
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573
methyl 4-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 18152301
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152786
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
methyl 2-methoxy-5-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 51329846
N-[(4-cyanophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106481
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 51488523
1-(4-cyanophenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 42044278
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 31544557

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 134035531) is N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is N#Cc1ccc(CNC(=O)Cc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is MQDSVTPJRNPRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c20-11-15-6-8-16(9-7-15)12-21-19(24)10-17-13-22-23(14-17)18-4-2-1-3-5-18/h1-9,13-14H,10,12H2,(H,21,24).
What are the key properties of N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 134035531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).