2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide

C13H14ClN3O2 — CID 82109549

IUPAC2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCOc1ccc(C(Cl)C(=O)Nc2cc(C)[nH]n2)cc1
InChIInChI=1S/C13H14ClN3O2/c1-8-7-11(17-16-8)15-13(18)12(14)9-3-5-10(19-2)6-4-9/h3-7,12H,1-2H3,(H2,15,16,17,18)
InChIKeyIPFUOYJTEFDDNV-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.65
Rot. Bonds4

About 2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide

2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 82109549) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID82109549
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCOc1ccc(C(Cl)C(=O)Nc2cc(C)[nH]n2)cc1
InChIInChI=1S/C13H14ClN3O2/c1-8-7-11(17-16-8)15-13(18)12(14)9-3-5-10(19-2)6-4-9/h3-7,12H,1-2H3,(H2,15,16,17,18)
InChIKeyIPFUOYJTEFDDNV-UHFFFAOYSA-N
XLogP2.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 84550600
2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 117099978
2-ethyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 63820066
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
CID 82110533
2-N,6-N-bis(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-dicarboxamide
CID 12073846
(1S)-1-chloro-1-(4-methoxyphenyl)propan-2-one
CID 86318456
2-acetamido-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63819909
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
(2S)-2-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)pentanamide
CID 63823173
(2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
CID 95626076
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 82109549) is 2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide is COc1ccc(C(Cl)C(=O)Nc2cc(C)[nH]n2)cc1.
What is the InChIKey of 2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is IPFUOYJTEFDDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8-7-11(17-16-8)15-13(18)12(14)9-3-5-10(19-2)6-4-9/h3-7,12H,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 279.73 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 82109549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).