1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole

C14H13FN4 — CID 142747348

IUPAC1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole
SMILESCc1cn(-c2ccccc2F)nc1-c1cnn(C)c1
InChIInChI=1S/C14H13FN4/c1-10-8-19(13-6-4-3-5-12(13)15)17-14(10)11-7-16-18(2)9-11/h3-9H,1-2H3
InChIKeyCSBVMCPFWVXZQY-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.72
Rot. Bonds2

About 1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole

1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole (PubChem CID 142747348) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole
PubChem CID142747348
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole
SMILESCc1cn(-c2ccccc2F)nc1-c1cnn(C)c1
InChIInChI=1S/C14H13FN4/c1-10-8-19(13-6-4-3-5-12(13)15)17-14(10)11-7-16-18(2)9-11/h3-9H,1-2H3
InChIKeyCSBVMCPFWVXZQY-UHFFFAOYSA-N
XLogP2.72
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole 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-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole?
The IUPAC name of 1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole (CID 142747348) is 1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole.
What is the SMILES notation for 1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole?
The canonical SMILES for 1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole is Cc1cn(-c2ccccc2F)nc1-c1cnn(C)c1.
What is the InChIKey of 1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole?
The InChIKey is CSBVMCPFWVXZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-10-8-19(13-6-4-3-5-12(13)15)17-14(10)11-7-16-18(2)9-11/h3-9H,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole?
1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole has a molecular weight of 256.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole is sourced from PubChem (CID 142747348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).