2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide

C12H10ClF2N3O — CID 35286238

IUPAC2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide
SMILESCCn1ccc(NC(=O)c2cc(F)c(F)cc2Cl)n1
InChIInChI=1S/C12H10ClF2N3O/c1-2-18-4-3-11(17-18)16-12(19)7-5-9(14)10(15)6-8(7)13/h3-6H,2H2,1H3,(H,16,17,19)
InChIKeyKAPLSMWMIRGLIC-UHFFFAOYSA-N
MW285.68 g/mol
LogP3.09
Rot. Bonds3

About 2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide

2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide (PubChem CID 35286238) has the molecular formula C12H10ClF2N3O and a molecular weight of 285.68 g/mol. Its IUPAC name is 2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide
PubChem CID35286238
Molecular FormulaC12H10ClF2N3O
Molecular Weight285.68 g/mol
Exact Mass285.05
IUPAC Name2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide
SMILESCCn1ccc(NC(=O)c2cc(F)c(F)cc2Cl)n1
InChIInChI=1S/C12H10ClF2N3O/c1-2-18-4-3-11(17-18)16-12(19)7-5-9(14)10(15)6-8(7)13/h3-6H,2H2,1H3,(H,16,17,19)
InChIKeyKAPLSMWMIRGLIC-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.68
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide
CID 35286166
2,6-dichloro-N-(1-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 114251518
3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide
CID 114251537
N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114251339
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097735
6-amino-3-chloro-N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 114252338
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
2-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfanylbenzamide
CID 19285625
5-amino-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-4-carboxamide
CID 114252333
3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide
CID 114251301
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19285284

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide (CID 35286238) is 2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide is CCn1ccc(NC(=O)c2cc(F)c(F)cc2Cl)n1.
What is the InChIKey of 2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide?
The InChIKey is KAPLSMWMIRGLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O/c1-2-18-4-3-11(17-18)16-12(19)7-5-9(14)10(15)6-8(7)13/h3-6H,2H2,1H3,(H,16,17,19).
What are the key properties of 2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide?
2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide has a molecular weight of 285.68 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide is sourced from PubChem (CID 35286238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).