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

C13H17N3 — CID 19619241

IUPAC3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCc1cc(C)cc(NCc2ccnn2C)c1
InChIInChI=1S/C13H17N3/c1-10-6-11(2)8-12(7-10)14-9-13-4-5-15-16(13)3/h4-8,14H,9H2,1-3H3
InChIKeyDVQXWSKMBWUOPT-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.65
Rot. Bonds3

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

3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline (PubChem CID 19619241) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
PubChem CID19619241
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCc1cc(C)cc(NCc2ccnn2C)c1
InChIInChI=1S/C13H17N3/c1-10-6-11(2)8-12(7-10)14-9-13-4-5-15-16(13)3/h4-8,14H,9H2,1-3H3
InChIKeyDVQXWSKMBWUOPT-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

3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710
N-[(2-methylpyrazol-3-yl)methyl]pyridin-4-amine
CID 63302069
4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 54863710
2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663220
1-(3,5-dimethylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 79479697
2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 115877145
3,4-dimethoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619255
5-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyridazin-3-amine
CID 106549752
2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 43663260
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline
CID 75518388
2-bromo-4-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 107276357
2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
CID 113367828

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline (CID 19619241) is 3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline is Cc1cc(C)cc(NCc2ccnn2C)c1.
What is the InChIKey of 3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The InChIKey is DVQXWSKMBWUOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-6-11(2)8-12(7-10)14-9-13-4-5-15-16(13)3/h4-8,14H,9H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
3,5-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 3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 19619241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).