4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole

C26H25ClN2O2 — CID 19586275

IUPAC4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-c2nn(Cc3cc(C)ccc3C)c(-c3ccc(OC)cc3)c2Cl)cc1
InChIInChI=1S/C26H25ClN2O2/c1-17-5-6-18(2)21(15-17)16-29-26(20-9-13-23(31-4)14-10-20)24(27)25(28-29)19-7-11-22(30-3)12-8-19/h5-15H,16H2,1-4H3
InChIKeyZTZVNKVBNXLSFP-UHFFFAOYSA-N
MW432.95 g/mol
LogP6.55
Rot. Bonds6

About 4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole

4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole (PubChem CID 19586275) has the molecular formula C26H25ClN2O2 and a molecular weight of 432.95 g/mol. Its IUPAC name is 4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole
PubChem CID19586275
Molecular FormulaC26H25ClN2O2
Molecular Weight432.95 g/mol
Exact Mass432.16
IUPAC Name4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-c2nn(Cc3cc(C)ccc3C)c(-c3ccc(OC)cc3)c2Cl)cc1
InChIInChI=1S/C26H25ClN2O2/c1-17-5-6-18(2)21(15-17)16-29-26(20-9-13-23(31-4)14-10-20)24(27)25(28-29)19-7-11-22(30-3)12-8-19/h5-15H,16H2,1-4H3
InChIKeyZTZVNKVBNXLSFP-UHFFFAOYSA-N
XLogP6.55
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.95
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)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-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole?
The IUPAC name of 4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole (CID 19586275) is 4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole.
What is the SMILES notation for 4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole?
The canonical SMILES for 4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole is COc1ccc(-c2nn(Cc3cc(C)ccc3C)c(-c3ccc(OC)cc3)c2Cl)cc1.
What is the InChIKey of 4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole?
The InChIKey is ZTZVNKVBNXLSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O2/c1-17-5-6-18(2)21(15-17)16-29-26(20-9-13-23(31-4)14-10-20)24(27)25(28-29)19-7-11-22(30-3)12-8-19/h5-15H,16H2,1-4H3.
What are the key properties of 4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole?
4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole has a molecular weight of 432.95 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole is sourced from PubChem (CID 19586275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).