5-chloro-4-methyl-1H-pyrazole

C4H5ClN2 — CID 22245189

IUPAC5-chloro-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1Cl
InChIInChI=1S/C4H5ClN2/c1-3-2-6-7-4(3)5/h2H,1H3,(H,6,7)
InChIKeyOQMXRGXWQATKRV-UHFFFAOYSA-N
MW116.55 g/mol
LogP1.37
Rot. Bonds

About 5-chloro-4-methyl-1H-pyrazole

5-chloro-4-methyl-1H-pyrazole (PubChem CID 22245189) has the molecular formula C4H5ClN2 and a molecular weight of 116.55 g/mol. Its IUPAC name is 5-chloro-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-chloro-4-methyl-1H-pyrazole
PubChem CID22245189
Molecular FormulaC4H5ClN2
Molecular Weight116.55 g/mol
Exact Mass116.01
IUPAC Name5-chloro-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1Cl
InChIInChI=1S/C4H5ClN2/c1-3-2-6-7-4(3)5/h2H,1H3,(H,6,7)
InChIKeyOQMXRGXWQATKRV-UHFFFAOYSA-N
XLogP1.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.55
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methylpyrazole
CID 3406
1H-Pyrazole, 4-chloro-
CID 27524
4-Methylpyrazole hydrochloride
CID 11957593
1H-pyrazol-4-ylmethanamine
CID 23005583
4-(Chloromethyl)-1H-pyrazole
CID 18411593
4-(chloromethyl)-1H-pyrazole hydrochloride
CID 18411592
(1H-pyrazol-4-yl)methanamine dihydrochloride
CID 43810558
3-iodo-4-methyl-1H-pyrazole
CID 67184620
5-chloro-4-ethyl-1H-pyrazole
CID 68223076
4,5-dichloro-1H-pyrazole
CID 519196
4-Methyl-1H-pyrazol-1-amine
CID 13483629
3-Chloro-4-iodo-1H-pyrazole
CID 23537420

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-1H-pyrazole?
The IUPAC name of 5-chloro-4-methyl-1H-pyrazole (CID 22245189) is 5-chloro-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-chloro-4-methyl-1H-pyrazole?
The canonical SMILES for 5-chloro-4-methyl-1H-pyrazole is Cc1cn[nH]c1Cl.
What is the InChIKey of 5-chloro-4-methyl-1H-pyrazole?
The InChIKey is OQMXRGXWQATKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2/c1-3-2-6-7-4(3)5/h2H,1H3,(H,6,7).
What are the key properties of 5-chloro-4-methyl-1H-pyrazole?
5-chloro-4-methyl-1H-pyrazole has a molecular weight of 116.55 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-1H-pyrazole is sourced from PubChem (CID 22245189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).