2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline

C12H15N3 — CID 165494673

IUPAC2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline
SMILESCc1cc(N)c(C)c(-c2cnn(C)c2)c1
InChIInChI=1S/C12H15N3/c1-8-4-11(9(2)12(13)5-8)10-6-14-15(3)7-10/h4-7H,13H2,1-3H3
InChIKeyRHRVZUOFXDJBMJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.29
Rot. Bonds1

About 2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline

2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline (PubChem CID 165494673) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline
PubChem CID165494673
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline
SMILESCc1cc(N)c(C)c(-c2cnn(C)c2)c1
InChIInChI=1S/C12H15N3/c1-8-4-11(9(2)12(13)5-8)10-6-14-15(3)7-10/h4-7H,13H2,1-3H3
InChIKeyRHRVZUOFXDJBMJ-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline
CID 165495050
methyl formate;4-methyl-2-(1-methylpyrazol-4-yl)aniline
CID 153387358
2,3,4-trifluoro-5-(1-methylpyrazol-4-yl)aniline
CID 165495372
3-chloro-2-methyl-4-(1-methylpyrazol-4-yl)aniline
CID 171916562
4-(2-fluoro-5-methylphenyl)-1-methylpyrazole
CID 59578603
3-(4-aminophenyl)-2,5-dimethylaniline
CID 68786442
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
[4-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 105408567
[2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 171364559
4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
CID 121373425
2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)aniline
CID 167459732
2,5-dimethyl-3-(3-methylphenyl)aniline
CID 165494667

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline?
The IUPAC name of 2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline (CID 165494673) is 2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline.
What is the SMILES notation for 2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline?
The canonical SMILES for 2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline is Cc1cc(N)c(C)c(-c2cnn(C)c2)c1.
What is the InChIKey of 2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline?
The InChIKey is RHRVZUOFXDJBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-4-11(9(2)12(13)5-8)10-6-14-15(3)7-10/h4-7H,13H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline?
2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline has a molecular weight of 201.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline is sourced from PubChem (CID 165494673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).