4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide

C19H24FN3O2 — CID 45283985

IUPAC4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NC1CCCCC1C
InChIInChI=1S/C19H24FN3O2/c1-3-25-17-12-23(15-10-8-14(20)9-11-15)22-18(17)19(24)21-16-7-5-4-6-13(16)2/h8-13,16H,3-7H2,1-2H3,(H,21,24)
InChIKeyIJETZJJDELTIFI-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.72
Rot. Bonds5

About 4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide

4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide (PubChem CID 45283985) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide
PubChem CID45283985
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NC1CCCCC1C
InChIInChI=1S/C19H24FN3O2/c1-3-25-17-12-23(15-10-8-14(20)9-11-15)22-18(17)19(24)21-16-7-5-4-6-13(16)2/h8-13,16H,3-7H2,1-2H3,(H,21,24)
InChIKeyIJETZJJDELTIFI-UHFFFAOYSA-N
XLogP3.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide?
The IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide (CID 45283985) is 4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide is CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NC1CCCCC1C.
What is the InChIKey of 4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide?
The InChIKey is IJETZJJDELTIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-3-25-17-12-23(15-10-8-14(20)9-11-15)22-18(17)19(24)21-16-7-5-4-6-13(16)2/h8-13,16H,3-7H2,1-2H3,(H,21,24).
What are the key properties of 4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide?
4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)pyrazole-3-carboxamide is sourced from PubChem (CID 45283985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).