4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole

C23H22Cl2N4 — CID 19586671

IUPAC4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole
SMILESCc1ccc(-c2nn(Cn3nc(C)c(Cl)c3C)c(-c3ccc(C)cc3)c2Cl)cc1
InChIInChI=1S/C23H22Cl2N4/c1-14-5-9-18(10-6-14)22-21(25)23(19-11-7-15(2)8-12-19)29(27-22)13-28-17(4)20(24)16(3)26-28/h5-12H,13H2,1-4H3
InChIKeyNXFWIZJUTOREDQ-UHFFFAOYSA-N
MW425.36 g/mol
LogP6.46
Rot. Bonds4

About 4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole

4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole (PubChem CID 19586671) has the molecular formula C23H22Cl2N4 and a molecular weight of 425.36 g/mol. Its IUPAC name is 4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole
PubChem CID19586671
Molecular FormulaC23H22Cl2N4
Molecular Weight425.36 g/mol
Exact Mass424.12
IUPAC Name4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole
SMILESCc1ccc(-c2nn(Cn3nc(C)c(Cl)c3C)c(-c3ccc(C)cc3)c2Cl)cc1
InChIInChI=1S/C23H22Cl2N4/c1-14-5-9-18(10-6-14)22-21(25)23(19-11-7-15(2)8-12-19)29(27-22)13-28-17(4)20(24)16(3)26-28/h5-12H,13H2,1-4H3
InChIKeyNXFWIZJUTOREDQ-UHFFFAOYSA-N
XLogP6.46
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.36
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole?
The IUPAC name of 4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole (CID 19586671) is 4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole is Cc1ccc(-c2nn(Cn3nc(C)c(Cl)c3C)c(-c3ccc(C)cc3)c2Cl)cc1.
What is the InChIKey of 4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole?
The InChIKey is NXFWIZJUTOREDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4/c1-14-5-9-18(10-6-14)22-21(25)23(19-11-7-15(2)8-12-19)29(27-22)13-28-17(4)20(24)16(3)26-28/h5-12H,13H2,1-4H3.
What are the key properties of 4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole?
4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole has a molecular weight of 425.36 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 19586671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).