1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole

C19H13ClF2N4 — CID 19586863

IUPAC1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)n(Cn3cc(Cl)cn3)n2)cc1
InChIInChI=1S/C19H13ClF2N4/c20-15-10-23-25(11-15)12-26-19(14-3-7-17(22)8-4-14)9-18(24-26)13-1-5-16(21)6-2-13/h1-11H,12H2
InChIKeyRUDKNHVMYQLCBV-UHFFFAOYSA-N
MW370.79 g/mol
LogP4.85
Rot. Bonds4

About 1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole

1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole (PubChem CID 19586863) has the molecular formula C19H13ClF2N4 and a molecular weight of 370.79 g/mol. Its IUPAC name is 1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole.

Molecular Properties

Compound Name1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole
PubChem CID19586863
Molecular FormulaC19H13ClF2N4
Molecular Weight370.79 g/mol
Exact Mass370.08
IUPAC Name1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)n(Cn3cc(Cl)cn3)n2)cc1
InChIInChI=1S/C19H13ClF2N4/c20-15-10-23-25(11-15)12-26-19(14-3-7-17(22)8-4-14)9-18(24-26)13-1-5-16(21)6-2-13/h1-11H,12H2
InChIKeyRUDKNHVMYQLCBV-UHFFFAOYSA-N
XLogP4.85
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)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-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
The IUPAC name of 1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole (CID 19586863) is 1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole.
What is the SMILES notation for 1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
The canonical SMILES for 1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole is Fc1ccc(-c2cc(-c3ccc(F)cc3)n(Cn3cc(Cl)cn3)n2)cc1.
What is the InChIKey of 1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
The InChIKey is RUDKNHVMYQLCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N4/c20-15-10-23-25(11-15)12-26-19(14-3-7-17(22)8-4-14)9-18(24-26)13-1-5-16(21)6-2-13/h1-11H,12H2.
What are the key properties of 1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole has a molecular weight of 370.79 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole is sourced from PubChem (CID 19586863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).