2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline

C13H17N3 — CID 43663220

IUPAC2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCc1ccc(C)c(NCc2ccnn2C)c1
InChIInChI=1S/C13H17N3/c1-10-4-5-11(2)13(8-10)14-9-12-6-7-15-16(12)3/h4-8,14H,9H2,1-3H3
InChIKeyZTBFMYSGFFFIQV-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.65
Rot. Bonds3

About 2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline

2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline (PubChem CID 43663220) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
PubChem CID43663220
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCc1ccc(C)c(NCc2ccnn2C)c1
InChIInChI=1S/C13H17N3/c1-10-4-5-11(2)13(8-10)14-9-12-6-7-15-16(12)3/h4-8,14H,9H2,1-3H3
InChIKeyZTBFMYSGFFFIQV-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000748
2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 115877145
5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663113
4-methyl-3-[(2-methylpyrazol-3-yl)methylamino]benzoic acid
CID 19624653
3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619241
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline
CID 54864670
4-N,4-N,2-trimethyl-1-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 43677065
4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 54863710
5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663388
methyl 3-methyl-4-[(2-methylpyrazol-3-yl)methylamino]benzoate
CID 43730605
5-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyridazin-3-amine
CID 106549752
4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663168

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline (CID 43663220) is 2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline is Cc1ccc(C)c(NCc2ccnn2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The InChIKey is ZTBFMYSGFFFIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-4-5-11(2)13(8-10)14-9-12-6-7-15-16(12)3/h4-8,14H,9H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline has a molecular weight of 215.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 43663220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).