N-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide

C13H14ClN3O2 — CID 136530728

IUPACN-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(CCO)cn1)Nc1ccccc1Cl
InChIInChI=1S/C13H14ClN3O2/c14-11-3-1-2-4-12(11)16-13(19)9-17-8-10(5-6-18)7-15-17/h1-4,7-8,18H,5-6,9H2,(H,16,19)
InChIKeyBIPDCDUYQSGEHH-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.71
Rot. Bonds5

About N-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide (PubChem CID 136530728) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide
PubChem CID136530728
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC NameN-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(CCO)cn1)Nc1ccccc1Cl
InChIInChI=1S/C13H14ClN3O2/c14-11-3-1-2-4-12(11)16-13(19)9-17-8-10(5-6-18)7-15-17/h1-4,7-8,18H,5-6,9H2,(H,16,19)
InChIKeyBIPDCDUYQSGEHH-UHFFFAOYSA-N
XLogP1.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
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N-(2-chlorophenyl)-2-(4-formylimidazol-1-yl)acetamide
CID 106716721
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
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2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515897
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4779873
N-(2-chlorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774389
2-(4-aminopyrazol-1-yl)-N-(2,5-dichlorophenyl)acetamide
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N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide (CID 136530728) is N-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide is O=C(Cn1cc(CCO)cn1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide?
The InChIKey is BIPDCDUYQSGEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c14-11-3-1-2-4-12(11)16-13(19)9-17-8-10(5-6-18)7-15-17/h1-4,7-8,18H,5-6,9H2,(H,16,19).
What are the key properties of N-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide has a molecular weight of 279.73 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(2-hydroxyethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 136530728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).