2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide

C17H22ClN3O2 — CID 110027846

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide
SMILESCc1nn(C)c(Cl)c1CC(=O)NC(C)CC(O)c1ccccc1
InChIInChI=1S/C17H22ClN3O2/c1-11(9-15(22)13-7-5-4-6-8-13)19-16(23)10-14-12(2)20-21(3)17(14)18/h4-8,11,15,22H,9-10H2,1-3H3,(H,19,23)
InChIKeyHENHLXKVQFDQFD-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.55
Rot. Bonds6

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide (PubChem CID 110027846) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide
PubChem CID110027846
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide
SMILESCc1nn(C)c(Cl)c1CC(=O)NC(C)CC(O)c1ccccc1
InChIInChI=1S/C17H22ClN3O2/c1-11(9-15(22)13-7-5-4-6-8-13)19-16(23)10-14-12(2)20-21(3)17(14)18/h4-8,11,15,22H,9-10H2,1-3H3,(H,19,23)
InChIKeyHENHLXKVQFDQFD-UHFFFAOYSA-N
XLogP2.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide
CID 110028148
1-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 97065175
1-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 97065174
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 110027918
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 97228090
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 110027961
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[1-(4-ethylphenyl)-2-hydroxyethyl]acetamide
CID 110028247
N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 71919972
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51295081
methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate
CID 62109634

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide (CID 110027846) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide is Cc1nn(C)c(Cl)c1CC(=O)NC(C)CC(O)c1ccccc1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide?
The InChIKey is HENHLXKVQFDQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-11(9-15(22)13-7-5-4-6-8-13)19-16(23)10-14-12(2)20-21(3)17(14)18/h4-8,11,15,22H,9-10H2,1-3H3,(H,19,23).
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide has a molecular weight of 335.84 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 110027846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).