1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine

C15H16N4 — CID 103078409

IUPAC1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine
SMILESCn1cc(N)c(NCc2cccc3ccccc23)n1
InChIInChI=1S/C15H16N4/c1-19-10-14(16)15(18-19)17-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9,16H2,1H3,(H,17,18)
InChIKeyYUSXLQHSBMBMQV-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.77
Rot. Bonds3

About 1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine

1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine (PubChem CID 103078409) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine
PubChem CID103078409
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine
SMILESCn1cc(N)c(NCc2cccc3ccccc23)n1
InChIInChI=1S/C15H16N4/c1-19-10-14(16)15(18-19)17-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9,16H2,1H3,(H,17,18)
InChIKeyYUSXLQHSBMBMQV-UHFFFAOYSA-N
XLogP2.77
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-diamine
CID 103077877
6-methoxy-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine
CID 62369756
6-hydrazinyl-5-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
CID 80902524
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
CID 115990474
3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine
CID 79535450
3-N-butyl-1-methylpyrazole-3,4-diamine
CID 90481031
3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078066
3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine
CID 103078111
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122168805
4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106571375
2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
CID 55112812

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine?
The IUPAC name of 1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine (CID 103078409) is 1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine.
What is the SMILES notation for 1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine?
The canonical SMILES for 1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine is Cn1cc(N)c(NCc2cccc3ccccc23)n1.
What is the InChIKey of 1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine?
The InChIKey is YUSXLQHSBMBMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-19-10-14(16)15(18-19)17-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9,16H2,1H3,(H,17,18).
What are the key properties of 1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine?
1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N-(naphthalen-1-ylmethyl)pyrazole-3,4-diamine is sourced from PubChem (CID 103078409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).