N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide

C20H20N4O2 — CID 31844726

IUPACN-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCn1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c1-24-13-12-18(23-24)22-19(25)14-17(15-8-4-2-5-9-15)21-20(26)16-10-6-3-7-11-16/h2-13,17H,14H2,1H3,(H,21,26)(H,22,23,25)/t17-/m1/s1
InChIKeyGNLRVYUBQFUNIV-QGZVFWFLSA-N
MW348.41 g/mol
LogP2.92
Rot. Bonds6

About N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide

N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 31844726) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID31844726
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCn1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c1-24-13-12-18(23-24)22-19(25)14-17(15-8-4-2-5-9-15)21-20(26)16-10-6-3-7-11-16/h2-13,17H,14H2,1H3,(H,21,26)(H,22,23,25)/t17-/m1/s1
InChIKeyGNLRVYUBQFUNIV-QGZVFWFLSA-N
XLogP2.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 24501980
N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 134014968
N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 16575195
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 42993313
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 2113874

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide (CID 31844726) is N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide is Cn1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is GNLRVYUBQFUNIV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24-13-12-18(23-24)22-19(25)14-17(15-8-4-2-5-9-15)21-20(26)16-10-6-3-7-11-16/h2-13,17H,14H2,1H3,(H,21,26)(H,22,23,25)/t17-/m1/s1.
What are the key properties of N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 31844726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).