4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole

C18H16Cl2N6 — CID 19588103

IUPAC4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole
SMILESCn1cc(-c2nn(Cc3ccc(Cl)cc3)c(-c3cnn(C)c3)c2Cl)cn1
InChIInChI=1S/C18H16Cl2N6/c1-24-10-13(7-21-24)17-16(20)18(14-8-22-25(2)11-14)26(23-17)9-12-3-5-15(19)6-4-12/h3-8,10-11H,9H2,1-2H3
InChIKeySFYYQLXBOGDWCO-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.04
Rot. Bonds4

About 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole

4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole (PubChem CID 19588103) has the molecular formula C18H16Cl2N6 and a molecular weight of 387.27 g/mol. Its IUPAC name is 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole
PubChem CID19588103
Molecular FormulaC18H16Cl2N6
Molecular Weight387.27 g/mol
Exact Mass386.08
IUPAC Name4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole
SMILESCn1cc(-c2nn(Cc3ccc(Cl)cc3)c(-c3cnn(C)c3)c2Cl)cn1
InChIInChI=1S/C18H16Cl2N6/c1-24-10-13(7-21-24)17-16(20)18(14-8-22-25(2)11-14)26(23-17)9-12-3-5-15(19)6-4-12/h3-8,10-11H,9H2,1-2H3
InChIKeySFYYQLXBOGDWCO-UHFFFAOYSA-N
XLogP4.04
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(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 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The IUPAC name of 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole (CID 19588103) is 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole.
What is the SMILES notation for 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The canonical SMILES for 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole is Cn1cc(-c2nn(Cc3ccc(Cl)cc3)c(-c3cnn(C)c3)c2Cl)cn1.
What is the InChIKey of 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The InChIKey is SFYYQLXBOGDWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N6/c1-24-10-13(7-21-24)17-16(20)18(14-8-22-25(2)11-14)26(23-17)9-12-3-5-15(19)6-4-12/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole has a molecular weight of 387.27 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(1-methylpyrazol-4-yl)pyrazole is sourced from PubChem (CID 19588103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).