N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide

C20H18N4O2 — CID 97247015

IUPACN-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N[C@H](C#N)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H18N4O2/c1-2-26-19-11-7-6-10-17(19)20(25)23-18(12-21)15-13-22-24(14-15)16-8-4-3-5-9-16/h3-11,13-14,18H,2H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeyOPHQOGZWTVXBTC-GOSISDBHSA-N
MW346.39 g/mol
LogP3.27
Rot. Bonds6

About N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide

N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide (PubChem CID 97247015) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide
PubChem CID97247015
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N[C@H](C#N)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H18N4O2/c1-2-26-19-11-7-6-10-17(19)20(25)23-18(12-21)15-13-22-24(14-15)16-8-4-3-5-9-16/h3-11,13-14,18H,2H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeyOPHQOGZWTVXBTC-GOSISDBHSA-N
XLogP3.27
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide
CID 99857495
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 95237324
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 95159954
N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide
CID 75376755
5-bromo-N-[cyano-(1-phenylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 167972145
2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile
CID 79412762
2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55996337
N-[(S)-cyano-(2,4-difluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 95618021
N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide
CID 114300243
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 97069293
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide?
The IUPAC name of N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide (CID 97247015) is N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide?
The canonical SMILES for N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)N[C@H](C#N)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide?
The InChIKey is OPHQOGZWTVXBTC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-2-26-19-11-7-6-10-17(19)20(25)23-18(12-21)15-13-22-24(14-15)16-8-4-3-5-9-16/h3-11,13-14,18H,2H2,1H3,(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide?
N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide has a molecular weight of 346.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide is sourced from PubChem (CID 97247015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).