4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine

C16H14ClN3 — CID 22037545

IUPAC4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine
SMILESCc1nn(C)c(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C16H14ClN3/c1-11-15(12-7-9-18-10-8-12)16(20(2)19-11)13-3-5-14(17)6-4-13/h3-10H,1-2H3
InChIKeyDGUKNSQHHWOLEW-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.11
Rot. Bonds2

About 4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine

4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine (PubChem CID 22037545) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine
PubChem CID22037545
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine
SMILESCc1nn(C)c(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C16H14ClN3/c1-11-15(12-7-9-18-10-8-12)16(20(2)19-11)13-3-5-14(17)6-4-13/h3-10H,1-2H3
InChIKeyDGUKNSQHHWOLEW-UHFFFAOYSA-N
XLogP4.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine (CID 22037545) is 4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine is Cc1nn(C)c(-c2ccc(Cl)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine?
The InChIKey is DGUKNSQHHWOLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11-15(12-7-9-18-10-8-12)16(20(2)19-11)13-3-5-14(17)6-4-13/h3-10H,1-2H3.
What are the key properties of 4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine?
4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine has a molecular weight of 283.76 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine is sourced from PubChem (CID 22037545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).