3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine

C12H23N3 — CID 62447780

IUPAC3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1cc(C)n(CC(C)CNC(C)C)n1
InChIInChI=1S/C12H23N3/c1-9(2)13-7-10(3)8-15-12(5)6-11(4)14-15/h6,9-10,13H,7-8H2,1-5H3
InChIKeyXOGZMOFWKJPLFP-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.13
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine

3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 62447780) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID62447780
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1cc(C)n(CC(C)CNC(C)C)n1
InChIInChI=1S/C12H23N3/c1-9(2)13-7-10(3)8-15-12(5)6-11(4)14-15/h6,9-10,13H,7-8H2,1-5H3
InChIKeyXOGZMOFWKJPLFP-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62447597
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine
CID 91636205
(2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine
CID 97159520
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028953
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028952
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79408988
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430633
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936610
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 94028989
tert-butyl N-[(2R)-1-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate
CID 94494165
(E)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylpent-2-enamide
CID 94186074

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 62447780) is 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine is Cc1cc(C)n(CC(C)CNC(C)C)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is XOGZMOFWKJPLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-9(2)13-7-10(3)8-15-12(5)6-11(4)14-15/h6,9-10,13H,7-8H2,1-5H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62447780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).