4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole

C24H17ClN4 — CID 177309742

IUPAC4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole
SMILESClc1cnn(-c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C24H17ClN4/c25-20-16-26-28(17-20)24-22(18-10-4-1-5-11-18)27-29(21-14-8-3-9-15-21)23(24)19-12-6-2-7-13-19/h1-17H
InChIKeyZCNRYVBKGNJQOM-UHFFFAOYSA-N
MW396.88 g/mol
LogP6.05
Rot. Bonds4

About 4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole

4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole (PubChem CID 177309742) has the molecular formula C24H17ClN4 and a molecular weight of 396.88 g/mol. Its IUPAC name is 4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole.

Molecular Properties

Compound Name4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole
PubChem CID177309742
Molecular FormulaC24H17ClN4
Molecular Weight396.88 g/mol
Exact Mass396.11
IUPAC Name4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole
SMILESClc1cnn(-c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C24H17ClN4/c25-20-16-26-28(17-20)24-22(18-10-4-1-5-11-18)27-29(21-14-8-3-9-15-21)23(24)19-12-6-2-7-13-19/h1-17H
InChIKeyZCNRYVBKGNJQOM-UHFFFAOYSA-N
XLogP6.05
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole?
The IUPAC name of 4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole (CID 177309742) is 4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole.
What is the SMILES notation for 4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole?
The canonical SMILES for 4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole is Clc1cnn(-c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccccc2)c1.
What is the InChIKey of 4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole?
The InChIKey is ZCNRYVBKGNJQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4/c25-20-16-26-28(17-20)24-22(18-10-4-1-5-11-18)27-29(21-14-8-3-9-15-21)23(24)19-12-6-2-7-13-19/h1-17H.
What are the key properties of 4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole?
4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole has a molecular weight of 396.88 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrazol-1-yl)-1,3,5-triphenylpyrazole is sourced from PubChem (CID 177309742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).