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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Related Compounds

4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
CID 142305322
4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine
CID 21036742
5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol
CID 147700932
3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 24886930
4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine
CID 10339058
4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
CID 132532788
4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine
CID 104670653
5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
CID 13046106
1,6-dimethyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole
CID 121215218
4-[5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyridine
CID 11648707
4-[1-[(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine
CID 86037477
4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole
CID 83746918

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).