1,4-dimethylpyrazole-3,5-diamine;hydrochloride

C5H11ClN4 — CID 66844059

IUPAC1,4-dimethylpyrazole-3,5-diamine;hydrochloride
SMILESCc1c(N)nn(C)c1N.Cl
InChIInChI=1S/C5H10N4.ClH/c1-3-4(6)8-9(2)5(3)7;/h7H2,1-2H3,(H2,6,8);1H
InChIKeyWFPPQZWAUYWPIW-UHFFFAOYSA-N
MW162.62 g/mol
LogP0.31
Rot. Bonds

About 1,4-dimethylpyrazole-3,5-diamine;hydrochloride

1,4-dimethylpyrazole-3,5-diamine;hydrochloride (PubChem CID 66844059) has the molecular formula C5H11ClN4 and a molecular weight of 162.62 g/mol. Its IUPAC name is 1,4-dimethylpyrazole-3,5-diamine;hydrochloride.

Molecular Properties

Compound Name1,4-dimethylpyrazole-3,5-diamine;hydrochloride
PubChem CID66844059
Molecular FormulaC5H11ClN4
Molecular Weight162.62 g/mol
Exact Mass162.07
IUPAC Name1,4-dimethylpyrazole-3,5-diamine;hydrochloride
SMILESCc1c(N)nn(C)c1N.Cl
InChIInChI=1S/C5H10N4.ClH/c1-3-4(6)8-9(2)5(3)7;/h7H2,1-2H3,(H2,6,8);1H
InChIKeyWFPPQZWAUYWPIW-UHFFFAOYSA-N
XLogP0.31
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Dimethyl-1H-pyrazol-5-amine
CID 12847948
1,4-dimethyl-1H-pyrazol-5-amine hydrochloride
CID 23330507
5-bromo-1,4-dimethyl-1H-pyrazol-3-amine
CID 178200152
1-Methyl-1H-pyrazole-3,5-diamine
CID 53302141
1-methyl-1H-pyrazole-3,4,5-triamine
CID 10197692
3,5-diamino-1-methyl-1H-pyrazole-4-carbonitrile
CID 12621028
4-(aminomethyl)-1-methyl-1H-pyrazol-5-amine dihydrochloride
CID 17962010
5-Amino-4-(aminomethyl)-1-methylpyrazole
CID 17962011
3-Amino-1-methyl-5-(methylamino)-1H-pyrazole-4-carbonitrile
CID 20395951
3,5-Diamino-1-propylpyrazole-4-carbonitrile
CID 20395953
3-Amino-4-cyano-1-methyl-5-dimethylaminopyrazole
CID 20395979
3,5-Diamino-1-ethyl-1H-pyrazole-4-carbonitrile
CID 20395989

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrazole-3,5-diamine;hydrochloride?
The IUPAC name of 1,4-dimethylpyrazole-3,5-diamine;hydrochloride (CID 66844059) is 1,4-dimethylpyrazole-3,5-diamine;hydrochloride.
What is the SMILES notation for 1,4-dimethylpyrazole-3,5-diamine;hydrochloride?
The canonical SMILES for 1,4-dimethylpyrazole-3,5-diamine;hydrochloride is Cc1c(N)nn(C)c1N.Cl.
What is the InChIKey of 1,4-dimethylpyrazole-3,5-diamine;hydrochloride?
The InChIKey is WFPPQZWAUYWPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4.ClH/c1-3-4(6)8-9(2)5(3)7;/h7H2,1-2H3,(H2,6,8);1H.
What are the key properties of 1,4-dimethylpyrazole-3,5-diamine;hydrochloride?
1,4-dimethylpyrazole-3,5-diamine;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrazole-3,5-diamine;hydrochloride is sourced from PubChem (CID 66844059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).