4-(4-chlorophenyl)-1,3,5-trimethylpyrazole

C12H13ClN2 — CID 142305322

IUPAC4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2/c1-8-12(9(2)15(3)14-8)10-4-6-11(13)7-5-10/h4-7H,1-3H3
InChIKeyKQOKIBCKLWPEQW-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.36
Rot. Bonds1

About 4-(4-chlorophenyl)-1,3,5-trimethylpyrazole

4-(4-chlorophenyl)-1,3,5-trimethylpyrazole (PubChem CID 142305322) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
PubChem CID142305322
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2/c1-8-12(9(2)15(3)14-8)10-4-6-11(13)7-5-10/h4-7H,1-3H3
InChIKeyKQOKIBCKLWPEQW-UHFFFAOYSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine
CID 22037545
1-[2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanone
CID 82779554
1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine
CID 54910094
1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
CID 83203377
N-[[2-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 61033411
4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole
CID 83746918
N-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine
CID 82540422
4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole
CID 102168707
5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
CID 13046106
[1-[[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]methanol
CID 166240170
2-[4-[4-(4-chlorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine
CID 22244634
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 65307163

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1,3,5-trimethylpyrazole?
The IUPAC name of 4-(4-chlorophenyl)-1,3,5-trimethylpyrazole (CID 142305322) is 4-(4-chlorophenyl)-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-(4-chlorophenyl)-1,3,5-trimethylpyrazole is Cc1nn(C)c(C)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1,3,5-trimethylpyrazole?
The InChIKey is KQOKIBCKLWPEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-8-12(9(2)15(3)14-8)10-4-6-11(13)7-5-10/h4-7H,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-1,3,5-trimethylpyrazole?
4-(4-chlorophenyl)-1,3,5-trimethylpyrazole has a molecular weight of 220.70 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1,3,5-trimethylpyrazole is sourced from PubChem (CID 142305322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).