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

C19H12Cl2F2N4 — CID 19587076

IUPAC4-chloro-1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole
SMILESFc1ccc(-c2nn(Cn3cc(Cl)cn3)c(-c3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C19H12Cl2F2N4/c20-14-9-24-26(10-14)11-27-19(13-3-7-16(23)8-4-13)17(21)18(25-27)12-1-5-15(22)6-2-12/h1-10H,11H2
InChIKeyZFFHQYUTLZUJNI-UHFFFAOYSA-N
MW405.24 g/mol
LogP5.50
Rot. Bonds4

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

4-chloro-1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole (PubChem CID 19587076) has the molecular formula C19H12Cl2F2N4 and a molecular weight of 405.24 g/mol. Its IUPAC name is 4-chloro-1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole
PubChem CID19587076
Molecular FormulaC19H12Cl2F2N4
Molecular Weight405.24 g/mol
Exact Mass404.04
IUPAC Name4-chloro-1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole
SMILESFc1ccc(-c2nn(Cn3cc(Cl)cn3)c(-c3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C19H12Cl2F2N4/c20-14-9-24-26(10-14)11-27-19(13-3-7-16(23)8-4-13)17(21)18(25-27)12-1-5-15(22)6-2-12/h1-10H,11H2
InChIKeyZFFHQYUTLZUJNI-UHFFFAOYSA-N
XLogP5.50
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.24
LogP ≤ 55.50
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-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
The IUPAC name of 4-chloro-1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole (CID 19587076) is 4-chloro-1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole.
What is the SMILES notation for 4-chloro-1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
The canonical SMILES for 4-chloro-1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole is Fc1ccc(-c2nn(Cn3cc(Cl)cn3)c(-c3ccc(F)cc3)c2Cl)cc1.
What is the InChIKey of 4-chloro-1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
The InChIKey is ZFFHQYUTLZUJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F2N4/c20-14-9-24-26(10-14)11-27-19(13-3-7-16(23)8-4-13)17(21)18(25-27)12-1-5-15(22)6-2-12/h1-10H,11H2.
What are the key properties of 4-chloro-1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole?
4-chloro-1-[(4-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole has a molecular weight of 405.24 g/mol, XLogP of 5.50, 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-chloropyrazol-1-yl)methyl]-3,5-bis(4-fluorophenyl)pyrazole is sourced from PubChem (CID 19587076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).