4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole

C12H13ClN2 — CID 162636745

IUPAC4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole
SMILESCCn1ncc(-c2ccccc2Cl)c1C
InChIInChI=1S/C12H13ClN2/c1-3-15-9(2)11(8-14-15)10-6-4-5-7-12(10)13/h4-8H,3H2,1-2H3
InChIKeyRHVSVNVSCSNNBW-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.53
Rot. Bonds2

About 4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole

4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole (PubChem CID 162636745) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole
PubChem CID162636745
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole
SMILESCCn1ncc(-c2ccccc2Cl)c1C
InChIInChI=1S/C12H13ClN2/c1-3-15-9(2)11(8-14-15)10-6-4-5-7-12(10)13/h4-8H,3H2,1-2H3
InChIKeyRHVSVNVSCSNNBW-UHFFFAOYSA-N
XLogP3.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-chlorophenyl)-1-ethylpyrazol-4-ol
CID 105480037
2-(1-ethyl-5-methylpyrazol-4-yl)benzaldehyde
CID 66099113
3-(1-ethyl-5-methylpyrazol-4-yl)-2-methylaniline
CID 107627213
4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole
CID 162634053
4-(1-ethyl-5-methylpyrazol-4-yl)pyridine
CID 157015319
4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole
CID 162625614
1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine
CID 105423702
[2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
CID 66099328
4-(1-ethyl-5-methylpyrazol-4-yl)aniline
CID 66097855
2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid
CID 105423713
[3-(1-ethyl-5-methylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888919
[5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine
CID 82207486

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole?
The IUPAC name of 4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole (CID 162636745) is 4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole.
What is the SMILES notation for 4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole?
The canonical SMILES for 4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole is CCn1ncc(-c2ccccc2Cl)c1C.
What is the InChIKey of 4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole?
The InChIKey is RHVSVNVSCSNNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-3-15-9(2)11(8-14-15)10-6-4-5-7-12(10)13/h4-8H,3H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole?
4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole has a molecular weight of 220.70 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole is sourced from PubChem (CID 162636745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).