1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride

C12H15BrClN3 — CID 90484280

IUPAC1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1nn(Cc2ccc(Br)cc2)c(C)c1N.Cl
InChIInChI=1S/C12H14BrN3.ClH/c1-8-12(14)9(2)16(15-8)7-10-3-5-11(13)6-4-10;/h3-6H,7,14H2,1-2H3;1H
InChIKeyCTEWGHRHOFYNAK-UHFFFAOYSA-N
MW316.63 g/mol
LogP3.31
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride

1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride (PubChem CID 90484280) has the molecular formula C12H15BrClN3 and a molecular weight of 316.63 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
PubChem CID90484280
Molecular FormulaC12H15BrClN3
Molecular Weight316.63 g/mol
Exact Mass315.01
IUPAC Name1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1nn(Cc2ccc(Br)cc2)c(C)c1N.Cl
InChIInChI=1S/C12H14BrN3.ClH/c1-8-12(14)9(2)16(15-8)7-10-3-5-11(13)6-4-10;/h3-6H,7,14H2,1-2H3;1H
InChIKeyCTEWGHRHOFYNAK-UHFFFAOYSA-N
XLogP3.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
CID 45052778
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine
CID 571135
4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid;hydrochloride
CID 90484252
1-[(4-bromophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784286
1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 82294764
2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine
CID 56604539
1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565465
1-[(4-bromophenyl)methyl]-4-isothiocyanato-3,5-dimethylpyrazole
CID 7017380
1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride
CID 18769494
3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 61311263
1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine
CID 39365314
2-bromo-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]aniline
CID 115557341

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride (CID 90484280) is 1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride is Cc1nn(Cc2ccc(Br)cc2)c(C)c1N.Cl.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride?
The InChIKey is CTEWGHRHOFYNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3.ClH/c1-8-12(14)9(2)16(15-8)7-10-3-5-11(13)6-4-10;/h3-6H,7,14H2,1-2H3;1H.
What are the key properties of 1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride?
1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride has a molecular weight of 316.63 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 90484280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).