(2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide

C19H19N5O2 — CID 94782929

IUPAC(2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide
SMILESNC(=O)Nc1ccc(CNC(=O)[C@@H](c2ccccc2)n2cccn2)cc1
InChIInChI=1S/C19H19N5O2/c20-19(26)23-16-9-7-14(8-10-16)13-21-18(25)17(24-12-4-11-22-24)15-5-2-1-3-6-15/h1-12,17H,13H2,(H,21,25)(H3,20,23,26)/t17-/m1/s1
InChIKeyMRSRGYXYSBCQHX-QGZVFWFLSA-N
MW349.39 g/mol
LogP2.28
Rot. Bonds6

About (2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide

(2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide (PubChem CID 94782929) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound Name(2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide
PubChem CID94782929
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide
SMILESNC(=O)Nc1ccc(CNC(=O)[C@@H](c2ccccc2)n2cccn2)cc1
InChIInChI=1S/C19H19N5O2/c20-19(26)23-16-9-7-14(8-10-16)13-21-18(25)17(24-12-4-11-22-24)15-5-2-1-3-6-15/h1-12,17H,13H2,(H,21,25)(H3,20,23,26)/t17-/m1/s1
InChIKeyMRSRGYXYSBCQHX-QGZVFWFLSA-N
XLogP2.28
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 94822827
N-(2-hydroxy-2-phenylethyl)-2-phenyl-2-pyrazol-1-ylacetamide
CID 51103317
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 51101673
2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 119223934
(2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide
CID 95280062
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 37426840
N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920936
N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 51104109
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119701163
(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71828548
[4-(benzylamino)phenyl]urea
CID 43744943

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide?
The IUPAC name of (2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide (CID 94782929) is (2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide.
What is the SMILES notation for (2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide?
The canonical SMILES for (2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide is NC(=O)Nc1ccc(CNC(=O)[C@@H](c2ccccc2)n2cccn2)cc1.
What is the InChIKey of (2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide?
The InChIKey is MRSRGYXYSBCQHX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-19(26)23-16-9-7-14(8-10-16)13-21-18(25)17(24-12-4-11-22-24)15-5-2-1-3-6-15/h1-12,17H,13H2,(H,21,25)(H3,20,23,26)/t17-/m1/s1.
What are the key properties of (2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide?
(2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide has a molecular weight of 349.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 94782929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).