4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide

C20H19N5O — CID 95146500

IUPAC4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide
SMILESC[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1
InChIInChI=1S/C20H19N5O/c1-14(15-5-3-2-4-6-15)12-23-20(26)16-7-9-18(10-8-16)25-19(22)17(11-21)13-24-25/h2-10,13-14H,12,22H2,1H3,(H,23,26)/t14-/m1/s1
InChIKeyHTMCCNWIYNANNO-CQSZACIVSA-N
MW345.41 g/mol
LogP2.86
Rot. Bonds5

About 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide

4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide (PubChem CID 95146500) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide
PubChem CID95146500
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide
SMILESC[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1
InChIInChI=1S/C20H19N5O/c1-14(15-5-3-2-4-6-15)12-23-20(26)16-7-9-18(10-8-16)25-19(22)17(11-21)13-24-25/h2-10,13-14H,12,22H2,1H3,(H,23,26)/t14-/m1/s1
InChIKeyHTMCCNWIYNANNO-CQSZACIVSA-N
XLogP2.86
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-amino-4-cyanopyrazol-1-yl)benzoic acid
CID 2451195
propan-2-yl 4-(5-amino-4-cyanopyrazol-1-yl)benzoate
CID 75416841
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 95168441
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 51135316
4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide
CID 41091338
1-oxido-N-(2-phenylpropyl)pyridin-1-ium-4-carboxamide
CID 47098870
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide
CID 86942756
N-[3-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]prop-2-enyl]acetamide
CID 169466440
ethyl 5-amino-1-[4-(1-phenylethylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363371
N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide
CID 51088181

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide?
The IUPAC name of 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide (CID 95146500) is 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide.
What is the SMILES notation for 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide?
The canonical SMILES for 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide is C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1.
What is the InChIKey of 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide?
The InChIKey is HTMCCNWIYNANNO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14(15-5-3-2-4-6-15)12-23-20(26)16-7-9-18(10-8-16)25-19(22)17(11-21)13-24-25/h2-10,13-14H,12,22H2,1H3,(H,23,26)/t14-/m1/s1.
What are the key properties of 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide?
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide has a molecular weight of 345.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide is sourced from PubChem (CID 95146500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).