5-chloro-3-methyl-1-phenylpyrazole

C10H9ClN2 — CID 2735771

IUPAC5-chloro-3-methyl-1-phenylpyrazole
SMILESCc1cc(Cl)n(-c2ccccc2)n1
InChIInChI=1S/C10H9ClN2/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyZZOWFLAMMWOSCG-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.83
Rot. Bonds1

About 5-chloro-3-methyl-1-phenylpyrazole

5-chloro-3-methyl-1-phenylpyrazole (PubChem CID 2735771) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-phenylpyrazole.

Molecular Properties

Compound Name5-chloro-3-methyl-1-phenylpyrazole
PubChem CID2735771
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name5-chloro-3-methyl-1-phenylpyrazole
SMILESCc1cc(Cl)n(-c2ccccc2)n1
InChIInChI=1S/C10H9ClN2/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyZZOWFLAMMWOSCG-UHFFFAOYSA-N
XLogP2.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-methyl-1-phenylpyrazole;formyl chloride
CID 175273197
4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride
CID 53433774
3,6-dichloro-1-phenylpyridazin-4-imine
CID 154194484
5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole
CID 139225206
1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
CID 4255927
5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole
CID 66021210
(5-methyl-2-phenylpyrazol-3-yl)hydrazine
CID 55279869
5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole
CID 66015719
(5-methyl-2-phenylpyrazol-3-yl) hydrogen carbonate
CID 175140326
3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole
CID 59067540
N-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine
CID 169018051
[4-(3-chloro-5-methylpyrazol-1-yl)phenyl]methanamine;[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]methanamine
CID 161193929

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-phenylpyrazole?
The IUPAC name of 5-chloro-3-methyl-1-phenylpyrazole (CID 2735771) is 5-chloro-3-methyl-1-phenylpyrazole.
What is the SMILES notation for 5-chloro-3-methyl-1-phenylpyrazole?
The canonical SMILES for 5-chloro-3-methyl-1-phenylpyrazole is Cc1cc(Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-chloro-3-methyl-1-phenylpyrazole?
The InChIKey is ZZOWFLAMMWOSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 5-chloro-3-methyl-1-phenylpyrazole?
5-chloro-3-methyl-1-phenylpyrazole has a molecular weight of 192.65 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-phenylpyrazole is sourced from PubChem (CID 2735771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).