1,3,5-trimethyl-N-phenylpyrazol-4-amine

C12H15N3 — CID 82537419

IUPAC1,3,5-trimethyl-N-phenylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1Nc1ccccc1
InChIInChI=1S/C12H15N3/c1-9-12(10(2)15(3)14-9)13-11-7-5-4-6-8-11/h4-8,13H,1-3H3
InChIKeyQWULUMAPCZIQEO-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.78
Rot. Bonds2

About 1,3,5-trimethyl-N-phenylpyrazol-4-amine

1,3,5-trimethyl-N-phenylpyrazol-4-amine (PubChem CID 82537419) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-phenylpyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-phenylpyrazol-4-amine
PubChem CID82537419
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1,3,5-trimethyl-N-phenylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1Nc1ccccc1
InChIInChI=1S/C12H15N3/c1-9-12(10(2)15(3)14-9)13-11-7-5-4-6-8-11/h4-8,13H,1-3H3
InChIKeyQWULUMAPCZIQEO-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3,5-trimethylpyrazol-4-yl)pyridin-3-amine
CID 82537515
1,3,5-trimethyl-N-naphthalen-1-ylpyrazol-4-amine
CID 82536261
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline
CID 63104702
(E)-N-(4-anilinophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 51112475
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-trimethylpyrazol-4-amine
CID 43512913
2,5-dimethyl-N-phenyldiazaphosphol-4-amine
CID 135534849
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
5-anilino-2,3-dimethylindazole-4,7-dione
CID 13000180
1,5,8-trimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-4-ium-3-amine chloride
CID 10827325
4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 20969113

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-phenylpyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-phenylpyrazol-4-amine (CID 82537419) is 1,3,5-trimethyl-N-phenylpyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-phenylpyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-phenylpyrazol-4-amine is Cc1nn(C)c(C)c1Nc1ccccc1.
What is the InChIKey of 1,3,5-trimethyl-N-phenylpyrazol-4-amine?
The InChIKey is QWULUMAPCZIQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-12(10(2)15(3)14-9)13-11-7-5-4-6-8-11/h4-8,13H,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-phenylpyrazol-4-amine?
1,3,5-trimethyl-N-phenylpyrazol-4-amine has a molecular weight of 201.27 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-phenylpyrazol-4-amine is sourced from PubChem (CID 82537419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).