methyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate

C15H21N3O3 — CID 97241320

IUPACmethyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1oc([C@H](C)N[C@H](C)Cn2cccn2)cc1C
InChIInChI=1S/C15H21N3O3/c1-10-8-13(21-14(10)15(19)20-4)12(3)17-11(2)9-18-7-5-6-16-18/h5-8,11-12,17H,9H2,1-4H3/t11-,12+/m1/s1
InChIKeyROBKIOYFIBFEBQ-NEPJUHHUSA-N
MW291.35 g/mol
LogP2.31
Rot. Bonds6

About methyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate

methyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate (PubChem CID 97241320) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate
PubChem CID97241320
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namemethyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1oc([C@H](C)N[C@H](C)Cn2cccn2)cc1C
InChIInChI=1S/C15H21N3O3/c1-10-8-13(21-14(10)15(19)20-4)12(3)17-11(2)9-18-7-5-6-16-18/h5-8,11-12,17H,9H2,1-4H3/t11-,12+/m1/s1
InChIKeyROBKIOYFIBFEBQ-NEPJUHHUSA-N
XLogP2.31
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]furan-3-carboxylate
CID 115616209
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632
1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94029431
5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749211
3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid
CID 62709836
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)furan-2-carboxamide
CID 51079611
3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38611766
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94163440
N-(furan-2-ylmethyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
CID 61462816
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 124852947
3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid
CID 43620929
(2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 95279669

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate (CID 97241320) is methyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate is COC(=O)c1oc([C@H](C)N[C@H](C)Cn2cccn2)cc1C.
What is the InChIKey of methyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate?
The InChIKey is ROBKIOYFIBFEBQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-8-13(21-14(10)15(19)20-4)12(3)17-11(2)9-18-7-5-6-16-18/h5-8,11-12,17H,9H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of methyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate?
methyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[(1S)-1-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 97241320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).