4-chloro-1,3-dimethylpyrazole

C5H7ClN2 — CID 12823254

IUPAC4-chloro-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1Cl
InChIInChI=1S/C5H7ClN2/c1-4-5(6)3-8(2)7-4/h3H,1-2H3
InChIKeyOILOPOQPXXGBIR-UHFFFAOYSA-N
MW130.58 g/mol
LogP1.38
Rot. Bonds

About 4-chloro-1,3-dimethylpyrazole

4-chloro-1,3-dimethylpyrazole (PubChem CID 12823254) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 4-chloro-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-1,3-dimethylpyrazole
PubChem CID12823254
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name4-chloro-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1Cl
InChIInChI=1S/C5H7ClN2/c1-4-5(6)3-8(2)7-4/h3H,1-2H3
InChIKeyOILOPOQPXXGBIR-UHFFFAOYSA-N
XLogP1.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Chloromethyl)-1-methyl-1H-pyrazole
CID 423923
1-(2-Chloroethyl)-3-methyl-1H-pyrazole
CID 13764853
4-chloro-1-methyl-1H-pyrazole-3-carbonitrile
CID 2782163
4-chloro-5-(chloromethyl)-1-methyl-1H-pyrazole
CID 55301719
5-(Chloromethyl)-1-methyl-1H-pyrazole
CID 12845047
methyl N-[(E)-(4-chloro-1-methylpyrazol-3-yl)methylideneamino]carbamodithioate
CID 145959104
5-(bromomethyl)-4-chloro-1-methyl-1H-pyrazole
CID 12823260
4-bromo-3-(chloromethyl)-1-methyl-1H-pyrazole
CID 24229714
3-(bromomethyl)-4-chloro-1-methyl-1H-pyrazole
CID 59589399
4-bromo-5-(chloromethyl)-1-methyl-1H-pyrazole
CID 66509569
4-chloro-3-(chloromethyl)-1-methyl-1H-pyrazole
CID 90411358
4-chloro-3-(chloromethyl)-1-ethyl-1H-pyrazole
CID 90480914

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethylpyrazole?
The IUPAC name of 4-chloro-1,3-dimethylpyrazole (CID 12823254) is 4-chloro-1,3-dimethylpyrazole.
What is the SMILES notation for 4-chloro-1,3-dimethylpyrazole?
The canonical SMILES for 4-chloro-1,3-dimethylpyrazole is Cc1nn(C)cc1Cl.
What is the InChIKey of 4-chloro-1,3-dimethylpyrazole?
The InChIKey is OILOPOQPXXGBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-4-5(6)3-8(2)7-4/h3H,1-2H3.
What are the key properties of 4-chloro-1,3-dimethylpyrazole?
4-chloro-1,3-dimethylpyrazole has a molecular weight of 130.58 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethylpyrazole is sourced from PubChem (CID 12823254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).