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

C4H6Cl2N2 — CID 70537427

IUPAC5-chloro-4-methyl-1H-pyrazole;hydrochloride
SMILESCc1cn[nH]c1Cl.Cl
InChIInChI=1S/C4H5ClN2.ClH/c1-3-2-6-7-4(3)5;/h2H,1H3,(H,6,7);1H
InChIKeySEDDPGQLTFLZGO-UHFFFAOYSA-N
MW153.01 g/mol
LogP1.79
Rot. Bonds

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

5-chloro-4-methyl-1H-pyrazole;hydrochloride (PubChem CID 70537427) has the molecular formula C4H6Cl2N2 and a molecular weight of 153.01 g/mol. Its IUPAC name is 5-chloro-4-methyl-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name5-chloro-4-methyl-1H-pyrazole;hydrochloride
PubChem CID70537427
Molecular FormulaC4H6Cl2N2
Molecular Weight153.01 g/mol
Exact Mass151.99
IUPAC Name5-chloro-4-methyl-1H-pyrazole;hydrochloride
SMILESCc1cn[nH]c1Cl.Cl
InChIInChI=1S/C4H5ClN2.ClH/c1-3-2-6-7-4(3)5;/h2H,1H3,(H,6,7);1H
InChIKeySEDDPGQLTFLZGO-UHFFFAOYSA-N
XLogP1.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.01
LogP ≤ 51.79
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
3-chloro-4-methyl-1H-pyrazole
CID 22245189
4-(chloromethyl)-1H-pyrazole hydrochloride
CID 18411592
(1H-pyrazol-4-yl)methanamine dihydrochloride
CID 43810558
methyl(1H-pyrazol-4-ylmethyl)amine dihydrochloride
CID 54593142
3-iodo-4-methyl-1H-pyrazole
CID 67184620
5-chloro-4-ethyl-1H-pyrazole
CID 68223076
3,4-dichloro-1H-pyrazole
CID 519196

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-1H-pyrazole;hydrochloride?
The IUPAC name of 5-chloro-4-methyl-1H-pyrazole;hydrochloride (CID 70537427) is 5-chloro-4-methyl-1H-pyrazole;hydrochloride.
What is the SMILES notation for 5-chloro-4-methyl-1H-pyrazole;hydrochloride?
The canonical SMILES for 5-chloro-4-methyl-1H-pyrazole;hydrochloride is Cc1cn[nH]c1Cl.Cl.
What is the InChIKey of 5-chloro-4-methyl-1H-pyrazole;hydrochloride?
The InChIKey is SEDDPGQLTFLZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2.ClH/c1-3-2-6-7-4(3)5;/h2H,1H3,(H,6,7);1H.
What are the key properties of 5-chloro-4-methyl-1H-pyrazole;hydrochloride?
5-chloro-4-methyl-1H-pyrazole;hydrochloride has a molecular weight of 153.01 g/mol, XLogP of 1.79, 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;hydrochloride is sourced from PubChem (CID 70537427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).