4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide

C13H13ClFN3O — CID 3321903

IUPAC4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)NCc1ccccc1F
InChIInChI=1S/C13H13ClFN3O/c1-2-18-12(10(14)8-17-18)13(19)16-7-9-5-3-4-6-11(9)15/h3-6,8H,2,7H2,1H3,(H,16,19)
InChIKeyAZRMJNMTTCKHIL-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.63
Rot. Bonds4

About 4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide

4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide (PubChem CID 3321903) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
PubChem CID3321903
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)NCc1ccccc1F
InChIInChI=1S/C13H13ClFN3O/c1-2-18-12(10(14)8-17-18)13(19)16-7-9-5-3-4-6-11(9)15/h3-6,8H,2,7H2,1H3,(H,16,19)
InChIKeyAZRMJNMTTCKHIL-UHFFFAOYSA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[(2-fluorophenyl)methyl]-4-nitropyrazole-5-carboxamide
CID 1224594
4-chloro-1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19477226
4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19294474
4-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19477268
(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 115803888
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide
CID 19410315
4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide
CID 19477175
5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 46104521
1-(3-chlorophenyl)-5-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 31900386
4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 841895
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide
CID 19477357

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide (CID 3321903) is 4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)NCc1ccccc1F.
What is the InChIKey of 4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is AZRMJNMTTCKHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-2-18-12(10(14)8-17-18)13(19)16-7-9-5-3-4-6-11(9)15/h3-6,8H,2,7H2,1H3,(H,16,19).
What are the key properties of 4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide?
4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 281.72 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 3321903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).