1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide

C22H23FN4O — CID 53067805

IUPAC1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C22H23FN4O/c1-15-4-8-18(9-5-15)25-22(28)20-13-21(16-3-2-12-24-14-16)27(26-20)19-10-6-17(23)7-11-19/h2-3,6-7,10-15,18H,4-5,8-9H2,1H3,(H,25,28)
InChIKeyJCEYJOLXDTYCNO-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.38
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide

1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 53067805) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID53067805
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C22H23FN4O/c1-15-4-8-18(9-5-15)25-22(28)20-13-21(16-3-2-12-24-14-16)27(26-20)19-10-6-17(23)7-11-19/h2-3,6-7,10-15,18H,4-5,8-9H2,1H3,(H,25,28)
InChIKeyJCEYJOLXDTYCNO-UHFFFAOYSA-N
XLogP4.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide (CID 53067805) is 1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide is CC1CCC(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is JCEYJOLXDTYCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-15-4-8-18(9-5-15)25-22(28)20-13-21(16-3-2-12-24-14-16)27(26-20)19-10-6-17(23)7-11-19/h2-3,6-7,10-15,18H,4-5,8-9H2,1H3,(H,25,28).
What are the key properties of 1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 53067805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).