N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide

C21H22N4O2 — CID 10713675

IUPACN-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide
SMILESC[C@H](NC(=O)[C@H](Cc1ccn[nH]1)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-15(16-8-4-2-5-9-16)23-21(27)19(14-18-12-13-22-25-18)24-20(26)17-10-6-3-7-11-17/h2-13,15,19H,14H2,1H3,(H,22,25)(H,23,27)(H,24,26)/t15-,19-/m0/s1
InChIKeyKMMCGBBMVWFQME-KXBFYZLASA-N
MW362.43 g/mol
LogP2.63
Rot. Bonds7

About N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide

N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide (PubChem CID 10713675) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide
PubChem CID10713675
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide
SMILESC[C@H](NC(=O)[C@H](Cc1ccn[nH]1)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-15(16-8-4-2-5-9-16)23-21(27)19(14-18-12-13-22-25-18)24-20(26)17-10-6-3-7-11-17/h2-13,15,19H,14H2,1H3,(H,22,25)(H,23,27)(H,24,26)/t15-,19-/m0/s1
InChIKeyKMMCGBBMVWFQME-KXBFYZLASA-N
XLogP2.63
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide 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-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 90895766
4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 125169678
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
N-[(2R)-1-oxo-3-phenyl-1-[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]propan-2-yl]benzamide
CID 25496868
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904
3-[(2-benzamido-3-phenylpropanoyl)amino]butanoic acid
CID 119220838
N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide
CID 78775920
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2121472

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide (CID 10713675) is N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide is C[C@H](NC(=O)[C@H](Cc1ccn[nH]1)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide?
The InChIKey is KMMCGBBMVWFQME-KXBFYZLASA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15(16-8-4-2-5-9-16)23-21(27)19(14-18-12-13-22-25-18)24-20(26)17-10-6-3-7-11-17/h2-13,15,19H,14H2,1H3,(H,22,25)(H,23,27)(H,24,26)/t15-,19-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide?
N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide is sourced from PubChem (CID 10713675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).