2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline

C14H19N3 — CID 107627200

IUPAC2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
SMILESCc1nn(C(C)C)cc1-c1cccc(N)c1C
InChIInChI=1S/C14H19N3/c1-9(2)17-8-13(11(4)16-17)12-6-5-7-14(15)10(12)3/h5-9H,15H2,1-4H3
InChIKeyQXOAMXJMQSTXFB-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.33
Rot. Bonds2

About 2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline

2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline (PubChem CID 107627200) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline.

Molecular Properties

Compound Name2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
PubChem CID107627200
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
SMILESCc1nn(C(C)C)cc1-c1cccc(N)c1C
InChIInChI=1S/C14H19N3/c1-9(2)17-8-13(11(4)16-17)12-6-5-7-14(15)10(12)3/h5-9H,15H2,1-4H3
InChIKeyQXOAMXJMQSTXFB-UHFFFAOYSA-N
XLogP3.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.33
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

2-fluoro-6-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
CID 107602961
3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline
CID 107627174
6-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 66022490
3-(3-amino-2-methylphenyl)-2-methylaniline
CID 15336123
2-fluoro-6-(3-methyl-1-propan-2-ylpyrazol-4-yl)benzoic acid
CID 114560401
2-methoxy-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
CID 66020833
4-methyl-6-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridin-3-amine
CID 114256490
[7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56723421
ethane;4-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 143753819
N-[[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 66023313
ethyl 8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 167776732
2-methyl-3-(2-propan-2-yloxyphenyl)aniline
CID 107626705

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline?
The IUPAC name of 2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline (CID 107627200) is 2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline.
What is the SMILES notation for 2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline?
The canonical SMILES for 2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline is Cc1nn(C(C)C)cc1-c1cccc(N)c1C.
What is the InChIKey of 2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline?
The InChIKey is QXOAMXJMQSTXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9(2)17-8-13(11(4)16-17)12-6-5-7-14(15)10(12)3/h5-9H,15H2,1-4H3.
What are the key properties of 2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline?
2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline has a molecular weight of 229.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline is sourced from PubChem (CID 107627200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).