1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

C16H18FN3O2 — CID 24712491

IUPAC1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O2/c1-11-15(16(21)18-9-14-3-2-8-22-14)10-19-20(11)13-6-4-12(17)5-7-13/h4-7,10,14H,2-3,8-9H2,1H3,(H,18,21)
InChIKeyJAQUMDFCLBSRKQ-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.23
Rot. Bonds4

About 1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 24712491) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID24712491
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O2/c1-11-15(16(21)18-9-14-3-2-8-22-14)10-19-20(11)13-6-4-12(17)5-7-13/h4-7,10,14H,2-3,8-9H2,1H3,(H,18,21)
InChIKeyJAQUMDFCLBSRKQ-UHFFFAOYSA-N
XLogP2.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (CID 24712491) is 1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCC2CCCO2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is JAQUMDFCLBSRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11-15(16(21)18-9-14-3-2-8-22-14)10-19-20(11)13-6-4-12(17)5-7-13/h4-7,10,14H,2-3,8-9H2,1H3,(H,18,21).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24712491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).