2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide

C12H12ClN3O2 — CID 175607035

IUPAC2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide
SMILESNC(=O)C(Cl)(OCc1ccccc1)c1ccn[nH]1
InChIInChI=1S/C12H12ClN3O2/c13-12(11(14)17,10-6-7-15-16-10)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,17)(H,15,16)
InChIKeyLAXIRWYMJRPIMO-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.50
Rot. Bonds5

About 2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide

2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 175607035) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide
PubChem CID175607035
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide
SMILESNC(=O)C(Cl)(OCc1ccccc1)c1ccn[nH]1
InChIInChI=1S/C12H12ClN3O2/c13-12(11(14)17,10-6-7-15-16-10)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,17)(H,15,16)
InChIKeyLAXIRWYMJRPIMO-UHFFFAOYSA-N
XLogP1.50
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.50
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-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid
CID 166028149
5-[chloro(difluoro)methyl]-1H-pyrazole
CID 59403642
2,2-dichloro-3-phenylpropanamide
CID 21425793
benzyl 2-chloro-2-oxoacetate
CID 11019858
[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl]azanium chloride
CID 11447576
benzyl carbonochloridate
CID 10387
benzyl carbamate;heptahydrochloride
CID 141351835
3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide
CID 67109526
ethyl 2-methyl-2-(1H-pyrazol-5-yl)propanoate
CID 162439676
2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 47286046
1-O-benzyl 2-O-(2,2,2-trichloroethyl) oxalate
CID 68795649
benzyl 2,3,4,4-tetrachlorobutanoate
CID 175354677

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide (CID 175607035) is 2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide is NC(=O)C(Cl)(OCc1ccccc1)c1ccn[nH]1.
What is the InChIKey of 2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is LAXIRWYMJRPIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-12(11(14)17,10-6-7-15-16-10)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,17)(H,15,16).
What are the key properties of 2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide?
2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 265.70 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 175607035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).