4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine

C28H20Cl2N6 — CID 160851614

IUPAC4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
SMILESClc1ccc(-c2cn[nH]c2-c2ccncc2)cc1.Clc1ccc(-c2cn[nH]c2-c2ccncc2)cc1
InChIInChI=1S/2C14H10ClN3/c2*15-12-3-1-10(2-4-12)13-9-17-18-14(13)11-5-7-16-8-6-11/h2*1-9H,(H,17,18)
InChIKeySJIGOENQZDUFNM-UHFFFAOYSA-N
MW511.42 g/mol
LogP7.58
Rot. Bonds4

About 4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine

4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine (PubChem CID 160851614) has the molecular formula C28H20Cl2N6 and a molecular weight of 511.42 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
PubChem CID160851614
Molecular FormulaC28H20Cl2N6
Molecular Weight511.42 g/mol
Exact Mass510.11
IUPAC Name4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
SMILESClc1ccc(-c2cn[nH]c2-c2ccncc2)cc1.Clc1ccc(-c2cn[nH]c2-c2ccncc2)cc1
InChIInChI=1S/2C14H10ClN3/c2*15-12-3-1-10(2-4-12)13-9-17-18-14(13)11-5-7-16-8-6-11/h2*1-9H,(H,17,18)
InChIKeySJIGOENQZDUFNM-UHFFFAOYSA-N
XLogP7.58
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.42
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine (CID 160851614) is 4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine is Clc1ccc(-c2cn[nH]c2-c2ccncc2)cc1.Clc1ccc(-c2cn[nH]c2-c2ccncc2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine?
The InChIKey is SJIGOENQZDUFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10ClN3/c2*15-12-3-1-10(2-4-12)13-9-17-18-14(13)11-5-7-16-8-6-11/h2*1-9H,(H,17,18).
What are the key properties of 4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine?
4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine has a molecular weight of 511.42 g/mol, XLogP of 7.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 160851614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).