3-chloro-5-methyl-4H-pyrazole

C4H5ClN2 — CID 98452102

IUPAC3-chloro-5-methyl-4H-pyrazole
SMILESCC1=NN=C(Cl)C1
InChIInChI=1S/C4H5ClN2/c1-3-2-4(5)7-6-3/h2H2,1H3
InChIKeyIYSWOKZKTMQKEN-UHFFFAOYSA-N
MW116.55 g/mol
LogP1.40
Rot. Bonds

About 3-chloro-5-methyl-4H-pyrazole

3-chloro-5-methyl-4H-pyrazole (PubChem CID 98452102) has the molecular formula C4H5ClN2 and a molecular weight of 116.55 g/mol. Its IUPAC name is 3-chloro-5-methyl-4H-pyrazole.

Molecular Properties

Compound Name3-chloro-5-methyl-4H-pyrazole
PubChem CID98452102
Molecular FormulaC4H5ClN2
Molecular Weight116.55 g/mol
Exact Mass116.01
IUPAC Name3-chloro-5-methyl-4H-pyrazole
SMILESCC1=NN=C(Cl)C1
InChIInChI=1S/C4H5ClN2/c1-3-2-4(5)7-6-3/h2H2,1H3
InChIKeyIYSWOKZKTMQKEN-UHFFFAOYSA-N
XLogP1.40
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.55
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-5-methyl-4H-pyrazole
CID 59050127
argon;3,4-dimethylhexane;3,5-dimethyl-4H-pyrazole
CID 157147348
5-methyl-4H-pyrazole-3-carboxylic acid
CID 95180514
butane;3-methyl-5-phenyl-4H-pyrazole
CID 91042720
5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,14-tetraene
CID 15304008
3-[2-[2-chloro-6-(4-methylphenoxy)phenyl]ethyl]-5-methyl-4H-pyrazole
CID 157331520
1,2-dichlorocyclopropene
CID 20975380
6-chloro-2,5-dimethyl-3,4-dihydropyridine;ethane
CID 176577412
2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene
CID 11304215
2-(6-chloro-5-methylpyridazin-3-yl)-5-methyl-4H-pyrazol-3-one
CID 139639551
4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl chloride
CID 10776232
2-methyl-4,5-dimethylidene-3H-pyrrole
CID 91221371

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-4H-pyrazole?
The IUPAC name of 3-chloro-5-methyl-4H-pyrazole (CID 98452102) is 3-chloro-5-methyl-4H-pyrazole.
What is the SMILES notation for 3-chloro-5-methyl-4H-pyrazole?
The canonical SMILES for 3-chloro-5-methyl-4H-pyrazole is CC1=NN=C(Cl)C1.
What is the InChIKey of 3-chloro-5-methyl-4H-pyrazole?
The InChIKey is IYSWOKZKTMQKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2/c1-3-2-4(5)7-6-3/h2H2,1H3.
What are the key properties of 3-chloro-5-methyl-4H-pyrazole?
3-chloro-5-methyl-4H-pyrazole has a molecular weight of 116.55 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-4H-pyrazole is sourced from PubChem (CID 98452102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).