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

C12H23N3 — CID 62447597

IUPAC3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cn1nc(C)cc1C
InChIInChI=1S/C12H23N3/c1-5-6-13-8-10(2)9-15-12(4)7-11(3)14-15/h7,10,13H,5-6,8-9H2,1-4H3
InChIKeyOHWGSAFBGHSIDT-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.14
Rot. Bonds6

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

3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine (PubChem CID 62447597) 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-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine
PubChem CID62447597
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cn1nc(C)cc1C
InChIInChI=1S/C12H23N3/c1-5-6-13-8-10(2)9-15-12(4)7-11(3)14-15/h7,10,13H,5-6,8-9H2,1-4H3
InChIKeyOHWGSAFBGHSIDT-UHFFFAOYSA-N
XLogP2.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-propylpropan-1-amine
CID 114253449
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
4-[[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]methyl]benzonitrile
CID 94193768
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine
CID 91636205
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
CID 114536486
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504956
ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate
CID 114536496
(E)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylpent-2-enamide
CID 94186074
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-ethyl-2-(2-methylpropyl)guanidine
CID 111180705
(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-methylsulfonylpropanamide
CID 94028953

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine (CID 62447597) is 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)Cn1nc(C)cc1C.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is OHWGSAFBGHSIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-6-13-8-10(2)9-15-12(4)7-11(3)14-15/h7,10,13H,5-6,8-9H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.14, 6 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-propylpropan-1-amine is sourced from PubChem (CID 62447597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).