1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

C22H22FN3O2 — CID 16547667

IUPAC1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H22FN3O2/c1-15-4-6-16(7-5-15)21-20(22(27)24-13-19-3-2-12-28-19)14-26(25-21)18-10-8-17(23)9-11-18/h4-11,14,19H,2-3,12-13H2,1H3,(H,24,27)
InChIKeyNAMBGZIFRBDGFF-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.90
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 16547667) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID16547667
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H22FN3O2/c1-15-4-6-16(7-5-15)21-20(22(27)24-13-19-3-2-12-28-19)14-26(25-21)18-10-8-17(23)9-11-18/h4-11,14,19H,2-3,12-13H2,1H3,(H,24,27)
InChIKeyNAMBGZIFRBDGFF-UHFFFAOYSA-N
XLogP3.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (CID 16547667) is 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is NAMBGZIFRBDGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15-4-6-16(7-5-15)21-20(22(27)24-13-19-3-2-12-28-19)14-26(25-21)18-10-8-17(23)9-11-18/h4-11,14,19H,2-3,12-13H2,1H3,(H,24,27).
What are the key properties of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 16547667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).