3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine

C13H17N3 — CID 571135

IUPAC3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1ccc(Cn2nc(C)c(N)c2C)cc1
InChIInChI=1S/C13H17N3/c1-9-4-6-12(7-5-9)8-16-11(3)13(14)10(2)15-16/h4-7H,8,14H2,1-3H3
InChIKeyNMHFSRKAYXYGFP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.44
Rot. Bonds2

About 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine

3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine (PubChem CID 571135) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine
PubChem CID571135
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1ccc(Cn2nc(C)c(N)c2C)cc1
InChIInChI=1S/C13H17N3/c1-9-4-6-12(7-5-9)8-16-11(3)13(14)10(2)15-16/h4-7H,8,14H2,1-3H3
InChIKeyNMHFSRKAYXYGFP-UHFFFAOYSA-N
XLogP2.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.44
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
1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
CID 90484280
1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 82294764
4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid;hydrochloride
CID 90484252
3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole
CID 118191365
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-sulfonyl chloride
CID 43531725
3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 61311263
5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66023235
5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 62679998
1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride
CID 18769494
1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 7019295
5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66023029

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine (CID 571135) is 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine is Cc1ccc(Cn2nc(C)c(N)c2C)cc1.
What is the InChIKey of 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine?
The InChIKey is NMHFSRKAYXYGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-4-6-12(7-5-9)8-16-11(3)13(14)10(2)15-16/h4-7H,8,14H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine?
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine has a molecular weight of 215.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 571135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).