5-methyl-1H-pyrazole;hydrochloride

C4H7ClN2 — CID 518468

IUPAC5-methyl-1H-pyrazole;hydrochloride
SMILESCc1ccn[nH]1.Cl
InChIInChI=1S/C4H6N2.ClH/c1-4-2-3-5-6-4;/h2-3H,1H3,(H,5,6);1H
InChIKeyWKFAAAYPBOLBKA-UHFFFAOYSA-N
MW118.57 g/mol
LogP1.14
Rot. Bonds

About 5-methyl-1H-pyrazole;hydrochloride

5-methyl-1H-pyrazole;hydrochloride (PubChem CID 518468) has the molecular formula C4H7ClN2 and a molecular weight of 118.57 g/mol. Its IUPAC name is 5-methyl-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name5-methyl-1H-pyrazole;hydrochloride
PubChem CID518468
Molecular FormulaC4H7ClN2
Molecular Weight118.57 g/mol
Exact Mass118.03
IUPAC Name5-methyl-1H-pyrazole;hydrochloride
SMILESCc1ccn[nH]1.Cl
InChIInChI=1S/C4H6N2.ClH/c1-4-2-3-5-6-4;/h2-3H,1H3,(H,5,6);1H
InChIKeyWKFAAAYPBOLBKA-UHFFFAOYSA-N
XLogP1.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.57
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrazole;hydrochloride?
The IUPAC name of 5-methyl-1H-pyrazole;hydrochloride (CID 518468) is 5-methyl-1H-pyrazole;hydrochloride.
What is the SMILES notation for 5-methyl-1H-pyrazole;hydrochloride?
The canonical SMILES for 5-methyl-1H-pyrazole;hydrochloride is Cc1ccn[nH]1.Cl.
What is the InChIKey of 5-methyl-1H-pyrazole;hydrochloride?
The InChIKey is WKFAAAYPBOLBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.ClH/c1-4-2-3-5-6-4;/h2-3H,1H3,(H,5,6);1H.
What are the key properties of 5-methyl-1H-pyrazole;hydrochloride?
5-methyl-1H-pyrazole;hydrochloride has a molecular weight of 118.57 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrazole;hydrochloride is sourced from PubChem (CID 518468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).