(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol

C13H19N3O2 — CID 104980741

IUPAC(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1cn[nH]c1-c1ccc(C)o1
InChIInChI=1S/C13H19N3O2/c1-3-11(8-17)14-6-10-7-15-16-13(10)12-5-4-9(2)18-12/h4-5,7,11,14,17H,3,6,8H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyADDVZCWPYGZRGY-NSHDSACASA-N
MW249.31 g/mol
LogP1.84
Rot. Bonds6

About (2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol

(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol (PubChem CID 104980741) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol
PubChem CID104980741
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1cn[nH]c1-c1ccc(C)o1
InChIInChI=1S/C13H19N3O2/c1-3-11(8-17)14-6-10-7-15-16-13(10)12-5-4-9(2)18-12/h4-5,7,11,14,17H,3,6,8H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyADDVZCWPYGZRGY-NSHDSACASA-N
XLogP1.84
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol with MolForge

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Related Compounds

N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]butan-2-amine
CID 43756376
2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol
CID 107850384
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 119123873
2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol
CID 43771485
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43783911
2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
CID 63680783
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298
2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine
CID 43788231
(2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290669
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 43433346
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine
CID 63997715

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol (CID 104980741) is (2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol is CC[C@@H](CO)NCc1cn[nH]c1-c1ccc(C)o1.
What is the InChIKey of (2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol?
The InChIKey is ADDVZCWPYGZRGY-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-11(8-17)14-6-10-7-15-16-13(10)12-5-4-9(2)18-12/h4-5,7,11,14,17H,3,6,8H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol?
(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol has a molecular weight of 249.31 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol is sourced from PubChem (CID 104980741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).