N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide

C12H11ClFN3O — CID 1247534

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C12H11ClFN3O/c1-8(18)15-12-5-6-17(16-12)7-9-10(13)3-2-4-11(9)14/h2-6H,7H2,1H3,(H,15,16,18)
InChIKeyFIQDWTPGIIBGIX-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.68
Rot. Bonds3

About N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 1247534) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID1247534
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C12H11ClFN3O/c1-8(18)15-12-5-6-17(16-12)7-9-10(13)3-2-4-11(9)14/h2-6H,7H2,1H3,(H,15,16,18)
InChIKeyFIQDWTPGIIBGIX-UHFFFAOYSA-N
XLogP2.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19395194
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19285747
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475845
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)thiourea
CID 19401629
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-iodobenzamide
CID 19285590
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-oxopropanamide
CID 19407145
2-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfanylbenzamide
CID 19285625
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525787
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559627
N-[1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 68643541
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-naphthalen-1-ylurea
CID 17380821
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide
CID 1246315

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide (CID 1247534) is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is FIQDWTPGIIBGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-8(18)15-12-5-6-17(16-12)7-9-10(13)3-2-4-11(9)14/h2-6H,7H2,1H3,(H,15,16,18).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 267.69 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 1247534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).