(2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide

C19H20N4O — CID 94562119

IUPAC(2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide
SMILESNC(=O)[C@@H](NCc1ccc(Cn2cccn2)cc1)c1ccccc1
InChIInChI=1S/C19H20N4O/c20-19(24)18(17-5-2-1-3-6-17)21-13-15-7-9-16(10-8-15)14-23-12-4-11-22-23/h1-12,18,21H,13-14H2,(H2,20,24)/t18-/m0/s1
InChIKeyQWSZEQXTIQWVSL-SFHVURJKSA-N
MW320.40 g/mol
LogP2.25
Rot. Bonds7

About (2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide

(2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide (PubChem CID 94562119) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide
PubChem CID94562119
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide
SMILESNC(=O)[C@@H](NCc1ccc(Cn2cccn2)cc1)c1ccccc1
InChIInChI=1S/C19H20N4O/c20-19(24)18(17-5-2-1-3-6-17)21-13-15-7-9-16(10-8-15)14-23-12-4-11-22-23/h1-12,18,21H,13-14H2,(H2,20,24)/t18-/m0/s1
InChIKeyQWSZEQXTIQWVSL-SFHVURJKSA-N
XLogP2.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95593404
2-[[4-(ethoxymethyl)phenyl]methylamino]-2-phenylacetamide
CID 56811841
2-phenyl-2-[(4-pyridin-3-ylphenyl)methylamino]acetamide
CID 75374761
2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide
CID 115524447
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 110001285
N-(1,1-diphenylpropan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46432019
2-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 115353094
(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide
CID 23625504
cis-(1R,3S)-2,2-dimethyl-3-[[4-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122099583
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
N-(1-phenylbut-3-ynyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 71908993

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide?
The IUPAC name of (2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide (CID 94562119) is (2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide?
The canonical SMILES for (2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide is NC(=O)[C@@H](NCc1ccc(Cn2cccn2)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide?
The InChIKey is QWSZEQXTIQWVSL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N4O/c20-19(24)18(17-5-2-1-3-6-17)21-13-15-7-9-16(10-8-15)14-23-12-4-11-22-23/h1-12,18,21H,13-14H2,(H2,20,24)/t18-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide?
(2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide has a molecular weight of 320.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide is sourced from PubChem (CID 94562119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).