2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide

C14H15ClFN3O — CID 154880577

IUPAC2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(CN(C(=O)CCl)c2ccc(F)cc2)nn1C
InChIInChI=1S/C14H15ClFN3O/c1-10-7-12(17-18(10)2)9-19(14(20)8-15)13-5-3-11(16)4-6-13/h3-7H,8-9H2,1-2H3
InChIKeyFZKMDKPKTPXEPP-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.64
Rot. Bonds4

About 2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide

2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide (PubChem CID 154880577) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide
PubChem CID154880577
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(CN(C(=O)CCl)c2ccc(F)cc2)nn1C
InChIInChI=1S/C14H15ClFN3O/c1-10-7-12(17-18(10)2)9-19(14(20)8-15)13-5-3-11(16)4-6-13/h3-7H,8-9H2,1-2H3
InChIKeyFZKMDKPKTPXEPP-UHFFFAOYSA-N
XLogP2.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 39437129
N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methylhydroxylamine
CID 82595635
2-chloro-N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 39442873
4,5-dichloro-N-(4-fluorophenyl)-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
CID 55785386
2-chloro-N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-N-(4-ethynylphenyl)acetamide
CID 167892227
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672953
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
CID 15045863
1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)thiourea
CID 17282045
2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]acetamide
CID 66567846
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080
2-chloro-N-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39443965
2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide
CID 39443934

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide (CID 154880577) is 2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide is Cc1cc(CN(C(=O)CCl)c2ccc(F)cc2)nn1C.
What is the InChIKey of 2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is FZKMDKPKTPXEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-10-7-12(17-18(10)2)9-19(14(20)8-15)13-5-3-11(16)4-6-13/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide?
2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 295.75 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 154880577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).