(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol

C19H24N4O2 — CID 51495619

IUPAC(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol
SMILESCc1cc(C)n(C[C@H](O)CN(Cc2cccnc2)Cc2ccco2)n1
InChIInChI=1S/C19H24N4O2/c1-15-9-16(2)23(21-15)13-18(24)12-22(14-19-6-4-8-25-19)11-17-5-3-7-20-10-17/h3-10,18,24H,11-14H2,1-2H3/t18-/m1/s1
InChIKeyWZBOMAHHQZOCMY-GOSISDBHSA-N
MW340.43 g/mol
LogP2.55
Rot. Bonds8

About (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol

(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol (PubChem CID 51495619) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol
PubChem CID51495619
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol
SMILESCc1cc(C)n(C[C@H](O)CN(Cc2cccnc2)Cc2ccco2)n1
InChIInChI=1S/C19H24N4O2/c1-15-9-16(2)23(21-15)13-18(24)12-22(14-19-6-4-8-25-19)11-17-5-3-7-20-10-17/h3-10,18,24H,11-14H2,1-2H3/t18-/m1/s1
InChIKeyWZBOMAHHQZOCMY-GOSISDBHSA-N
XLogP2.55
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol with MolForge

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Related Compounds

1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol
CID 43818313
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(oxolan-3-ylmethyl)amino]propan-2-ol
CID 43818314
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine
CID 86786255
1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
CID 3157338
N-(furan-2-ylmethyl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 84599835
2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol
CID 71922947
N-carbamoyl-2-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide
CID 75519007
1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol
CID 24713749
1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
CID 112561353
(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2502652

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol (CID 51495619) is (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol is Cc1cc(C)n(C[C@H](O)CN(Cc2cccnc2)Cc2ccco2)n1.
What is the InChIKey of (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol?
The InChIKey is WZBOMAHHQZOCMY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-9-16(2)23(21-15)13-18(24)12-22(14-19-6-4-8-25-19)11-17-5-3-7-20-10-17/h3-10,18,24H,11-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol?
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol has a molecular weight of 340.43 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 51495619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).