2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline

C13H17N3O — CID 113393421

IUPAC2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline
SMILESCc1ccn(-c2cccc(OC(C)C)c2N)n1
InChIInChI=1S/C13H17N3O/c1-9(2)17-12-6-4-5-11(13(12)14)16-8-7-10(3)15-16/h4-9H,14H2,1-3H3
InChIKeyPVOSDHMRWKMPTE-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.55
Rot. Bonds3

About 2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline

2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline (PubChem CID 113393421) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline
PubChem CID113393421
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline
SMILESCc1ccn(-c2cccc(OC(C)C)c2N)n1
InChIInChI=1S/C13H17N3O/c1-9(2)17-12-6-4-5-11(13(12)14)16-8-7-10(3)15-16/h4-9H,14H2,1-3H3
InChIKeyPVOSDHMRWKMPTE-UHFFFAOYSA-N
XLogP2.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline 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

2-fluoro-6-(3-methylpyrazol-1-yl)aniline
CID 62494293
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yloxyaniline
CID 104957818
2-propan-2-yloxy-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
CID 102742855
1-(3-bromo-2-fluorophenyl)-3-methylpyrazole
CID 170648449
4-(difluoromethoxy)-5-fluoro-2-(3-methylpyrazol-1-yl)aniline
CID 63593340
2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline
CID 107655528
4-methyl-3-(3-methylpyrazol-1-yl)aniline
CID 82405406
1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine
CID 117365754
1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
CID 155217765
2-bromo-6-(3-methylpyrazol-1-yl)benzonitrile
CID 114881485
5-bromo-2-(3-methylpyrazol-1-yl)aniline
CID 62492609
(1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 63372283

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline?
The IUPAC name of 2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline (CID 113393421) is 2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline is Cc1ccn(-c2cccc(OC(C)C)c2N)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline?
The InChIKey is PVOSDHMRWKMPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)17-12-6-4-5-11(13(12)14)16-8-7-10(3)15-16/h4-9H,14H2,1-3H3.
What are the key properties of 2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline?
2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline has a molecular weight of 231.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline is sourced from PubChem (CID 113393421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).