4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole

C19H18Cl2N6 — CID 19588041

IUPAC4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole
SMILESCc1c(-c2nn(-c3cccc(Cl)c3)c(-c3cnn(C)c3C)c2Cl)cnn1C
InChIInChI=1S/C19H18Cl2N6/c1-11-15(9-22-25(11)3)18-17(21)19(16-10-23-26(4)12(16)2)27(24-18)14-7-5-6-13(20)8-14/h5-10H,1-4H3
InChIKeyYRSURPKUTKCNDW-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.60
Rot. Bonds3

About 4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole

4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole (PubChem CID 19588041) has the molecular formula C19H18Cl2N6 and a molecular weight of 401.30 g/mol. Its IUPAC name is 4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole
PubChem CID19588041
Molecular FormulaC19H18Cl2N6
Molecular Weight401.30 g/mol
Exact Mass400.10
IUPAC Name4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole
SMILESCc1c(-c2nn(-c3cccc(Cl)c3)c(-c3cnn(C)c3C)c2Cl)cnn1C
InChIInChI=1S/C19H18Cl2N6/c1-11-15(9-22-25(11)3)18-17(21)19(16-10-23-26(4)12(16)2)27(24-18)14-7-5-6-13(20)8-14/h5-10H,1-4H3
InChIKeyYRSURPKUTKCNDW-UHFFFAOYSA-N
XLogP4.60
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole?
The IUPAC name of 4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole (CID 19588041) is 4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole.
What is the SMILES notation for 4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole?
The canonical SMILES for 4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole is Cc1c(-c2nn(-c3cccc(Cl)c3)c(-c3cnn(C)c3C)c2Cl)cnn1C.
What is the InChIKey of 4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole?
The InChIKey is YRSURPKUTKCNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6/c1-11-15(9-22-25(11)3)18-17(21)19(16-10-23-26(4)12(16)2)27(24-18)14-7-5-6-13(20)8-14/h5-10H,1-4H3.
What are the key properties of 4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole?
4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole has a molecular weight of 401.30 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-chlorophenyl)-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole is sourced from PubChem (CID 19588041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).