(2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide

C17H15ClN4O — CID 124620768

IUPAC(2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide
SMILESNC(=O)[C@@H](Nc1ccn(-c2ccccc2Cl)n1)c1ccccc1
InChIInChI=1S/C17H15ClN4O/c18-13-8-4-5-9-14(13)22-11-10-15(21-22)20-16(17(19)23)12-6-2-1-3-7-12/h1-11,16H,(H2,19,23)(H,20,21)/t16-/m0/s1
InChIKeyYUVDVZWVTLOHSD-INIZCTEOSA-N
MW326.79 g/mol
LogP3.16
Rot. Bonds5

About (2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide

(2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide (PubChem CID 124620768) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is (2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide
PubChem CID124620768
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name(2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide
SMILESNC(=O)[C@@H](Nc1ccn(-c2ccccc2Cl)n1)c1ccccc1
InChIInChI=1S/C17H15ClN4O/c18-13-8-4-5-9-14(13)22-11-10-15(21-22)20-16(17(19)23)12-6-2-1-3-7-12/h1-11,16H,(H2,19,23)(H,20,21)/t16-/m0/s1
InChIKeyYUVDVZWVTLOHSD-INIZCTEOSA-N
XLogP3.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide
CID 52513898
2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid
CID 103256803
N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide
CID 167902267
1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine
CID 166217513
2-(chloroamino)-2-phenylacetamide
CID 89152727
9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120993023
(2S)-2-[4-(2-chlorophenoxy)anilino]-2-phenylacetamide
CID 25344822
2-anilino-2-phenylacetamide;ethane
CID 142824395
(2S)-2-[(2-chlorophenyl)methylamino]-2-phenylacetamide
CID 33401995
2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide
CID 61005849
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888
1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide
CID 49376762

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide (CID 124620768) is (2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide is NC(=O)[C@@H](Nc1ccn(-c2ccccc2Cl)n1)c1ccccc1.
What is the InChIKey of (2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide?
The InChIKey is YUVDVZWVTLOHSD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-13-8-4-5-9-14(13)22-11-10-15(21-22)20-16(17(19)23)12-6-2-1-3-7-12/h1-11,16H,(H2,19,23)(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide?
(2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide has a molecular weight of 326.79 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide is sourced from PubChem (CID 124620768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).