N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline

C12H15N3 — CID 176940677

IUPACN,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline
SMILESCNc1ccc(C)c(-c2ccn(C)n2)c1
InChIInChI=1S/C12H15N3/c1-9-4-5-10(13-2)8-11(9)12-6-7-15(3)14-12/h4-8,13H,1-3H3
InChIKeyZJIYWHLHGAVLNA-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.44
Rot. Bonds2

About N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline

N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline (PubChem CID 176940677) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline.

Molecular Properties

Compound NameN,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline
PubChem CID176940677
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline
SMILESCNc1ccc(C)c(-c2ccn(C)n2)c1
InChIInChI=1S/C12H15N3/c1-9-4-5-10(13-2)8-11(9)12-6-7-15(3)14-12/h4-8,13H,1-3H3
InChIKeyZJIYWHLHGAVLNA-UHFFFAOYSA-N
XLogP2.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(1-methylpyrazol-3-yl)benzoic acid
CID 103131524
2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106106392
3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
CID 140621702
3-(4-chloro-2-methylphenyl)-1-methylpyrazole
CID 176555071
N,4-dimethyl-3-(1,6-naphthyridin-2-yl)aniline
CID 144620799
4-[6-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]pyridine-2-carboxamide
CID 168929368
N,4-dimethyl-3-propan-2-ylaniline
CID 45096209
fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole
CID 140599675
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
1-N-methyl-4-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine
CID 178122218
N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline
CID 134379372
4-methyl-2-(1-methylpyrazol-3-yl)pyridine
CID 130225331

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline?
The IUPAC name of N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline (CID 176940677) is N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline.
What is the SMILES notation for N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline?
The canonical SMILES for N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline is CNc1ccc(C)c(-c2ccn(C)n2)c1.
What is the InChIKey of N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline?
The InChIKey is ZJIYWHLHGAVLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-4-5-10(13-2)8-11(9)12-6-7-15(3)14-12/h4-8,13H,1-3H3.
What are the key properties of N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline?
N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline has a molecular weight of 201.27 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 N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline is sourced from PubChem (CID 176940677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).