1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride

C11H16Cl2N4 — CID 18769494

IUPAC1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride
SMILESCc1nn(Cc2ccccc2)c(N)c1N.Cl.Cl
InChIInChI=1S/C11H14N4.2ClH/c1-8-10(12)11(13)15(14-8)7-9-5-3-2-4-6-9;;/h2-6H,7,12-13H2,1H3;2*1H
InChIKeyYPQFQMAVQUYRJA-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.25
Rot. Bonds2

About 1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride

1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride (PubChem CID 18769494) has the molecular formula C11H16Cl2N4 and a molecular weight of 275.18 g/mol. Its IUPAC name is 1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride
PubChem CID18769494
Molecular FormulaC11H16Cl2N4
Molecular Weight275.18 g/mol
Exact Mass274.08
IUPAC Name1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride
SMILESCc1nn(Cc2ccccc2)c(N)c1N.Cl.Cl
InChIInChI=1S/C11H14N4.2ClH/c1-8-10(12)11(13)15(14-8)7-9-5-3-2-4-6-9;;/h2-6H,7,12-13H2,1H3;2*1H
InChIKeyYPQFQMAVQUYRJA-UHFFFAOYSA-N
XLogP2.25
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine
CID 970025
1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
CID 45052778
5-amino-1-benzyl-4-methylpyrazole-3-carboxylic acid
CID 82589961
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine
CID 571135
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
CID 90484280
4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid;hydrochloride
CID 90484252
2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63279074
2-[(2-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63276587
1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine
CID 53416535
4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine
CID 119026611
2-benzyl-5-chloro-4-methyl-1-oxidotriazol-1-ium
CID 134912506

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride?
The IUPAC name of 1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride (CID 18769494) is 1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride.
What is the SMILES notation for 1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride?
The canonical SMILES for 1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride is Cc1nn(Cc2ccccc2)c(N)c1N.Cl.Cl.
What is the InChIKey of 1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride?
The InChIKey is YPQFQMAVQUYRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.2ClH/c1-8-10(12)11(13)15(14-8)7-9-5-3-2-4-6-9;;/h2-6H,7,12-13H2,1H3;2*1H.
What are the key properties of 1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride?
1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride has a molecular weight of 275.18 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride is sourced from PubChem (CID 18769494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).