3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide

C12H11ClFN3O — CID 113263522

IUPAC3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
SMILESCCc1cc(NC(=O)c2ccc(F)c(Cl)c2)n[nH]1
InChIInChI=1S/C12H11ClFN3O/c1-2-8-6-11(17-16-8)15-12(18)7-3-4-10(14)9(13)5-7/h3-6H,2H2,1H3,(H2,15,16,17,18)
InChIKeyMFDRJYVLNSULCF-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.02
Rot. Bonds3

About 3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide

3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide (PubChem CID 113263522) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
PubChem CID113263522
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
SMILESCCc1cc(NC(=O)c2ccc(F)c(Cl)c2)n[nH]1
InChIInChI=1S/C12H11ClFN3O/c1-2-8-6-11(17-16-8)15-12(18)7-3-4-10(14)9(13)5-7/h3-6H,2H2,1H3,(H2,15,16,17,18)
InChIKeyMFDRJYVLNSULCF-UHFFFAOYSA-N
XLogP3.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-4,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
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N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
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3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
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4-(carbamoylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
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3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide (CID 113263522) is 3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide is CCc1cc(NC(=O)c2ccc(F)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide?
The InChIKey is MFDRJYVLNSULCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-2-8-6-11(17-16-8)15-12(18)7-3-4-10(14)9(13)5-7/h3-6H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide?
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide has a molecular weight of 267.69 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide is sourced from PubChem (CID 113263522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).