1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol

C13H19N3O2 — CID 3157338

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
SMILESCc1cc(C)n(CC(O)CNCc2ccco2)n1
InChIInChI=1S/C13H19N3O2/c1-10-6-11(2)16(15-10)9-12(17)7-14-8-13-4-3-5-18-13/h3-6,12,14,17H,7-9H2,1-2H3
InChIKeyBBKQXYSANRUXJD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.24
Rot. Bonds6

About 1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol

1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol (PubChem CID 3157338) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
PubChem CID3157338
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
SMILESCc1cc(C)n(CC(O)CNCc2ccco2)n1
InChIInChI=1S/C13H19N3O2/c1-10-6-11(2)16(15-10)9-12(17)7-14-8-13-4-3-5-18-13/h3-6,12,14,17H,7-9H2,1-2H3
InChIKeyBBKQXYSANRUXJD-UHFFFAOYSA-N
XLogP1.24
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 51495619
(2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 7189037
(2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 35583856
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol
CID 43818314
1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 46962152
1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol
CID 43818313
2-ethyl-N-(furan-2-ylmethyl)-5-methylpyrazol-3-amine
CID 122168955
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol (CID 3157338) is 1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol is Cc1cc(C)n(CC(O)CNCc2ccco2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol?
The InChIKey is BBKQXYSANRUXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-6-11(2)16(15-10)9-12(17)7-14-8-13-4-3-5-18-13/h3-6,12,14,17H,7-9H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol has a molecular weight of 249.31 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 3157338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).