2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide

C18H17N3O2 — CID 111464580

IUPAC2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide
SMILESCc1cn(-c2ccccc2)nc1NC(=O)C(O)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-13-12-21(15-10-6-3-7-11-15)20-17(13)19-18(23)16(22)14-8-4-2-5-9-14/h2-12,16,22H,1H3,(H,19,20,23)
InChIKeyKTMLQDMQHYQYRA-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.85
Rot. Bonds4

About 2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide

2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide (PubChem CID 111464580) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide
PubChem CID111464580
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide
SMILESCc1cn(-c2ccccc2)nc1NC(=O)C(O)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-13-12-21(15-10-6-3-7-11-15)20-17(13)19-18(23)16(22)14-8-4-2-5-9-14/h2-12,16,22H,1H3,(H,19,20,23)
InChIKeyKTMLQDMQHYQYRA-UHFFFAOYSA-N
XLogP2.85
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide
CID 124595049
1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea
CID 111107558
1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea
CID 71992278
9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71867151
4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide
CID 56782671
4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide
CID 56803343
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
N-(2-benzyl-5-methylpyrazol-3-yl)-2-hydroxy-2-phenylacetamide
CID 111432479
1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea
CID 86896091
2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
2-(3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 83894109
(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-pyridin-2-ylpropanamide
CID 100819781

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide?
The IUPAC name of 2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide (CID 111464580) is 2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for 2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide?
The canonical SMILES for 2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide is Cc1cn(-c2ccccc2)nc1NC(=O)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide?
The InChIKey is KTMLQDMQHYQYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-12-21(15-10-6-3-7-11-15)20-17(13)19-18(23)16(22)14-8-4-2-5-9-14/h2-12,16,22H,1H3,(H,19,20,23).
What are the key properties of 2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide?
2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide has a molecular weight of 307.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 111464580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).