methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate

C8H12N2O2 — CID 42574632

IUPACmethyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
SMILESCOC(=O)[C@H](C)Cn1cccn1
InChIInChI=1S/C8H12N2O2/c1-7(8(11)12-2)6-10-5-3-4-9-10/h3-5,7H,6H2,1-2H3/t7-/m1/s1
InChIKeyHZAQNPYNRRIGDW-SSDOTTSWSA-N
MW168.20 g/mol
LogP0.69
Rot. Bonds3

About methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate

methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate (PubChem CID 42574632) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
PubChem CID42574632
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namemethyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
SMILESCOC(=O)[C@H](C)Cn1cccn1
InChIInChI=1S/C8H12N2O2/c1-7(8(11)12-2)6-10-5-3-4-9-10/h3-5,7H,6H2,1-2H3/t7-/m1/s1
InChIKeyHZAQNPYNRRIGDW-SSDOTTSWSA-N
XLogP0.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate
CID 61499693
methyl 2-phenyl-3-pyrazol-1-ylpropanoate
CID 64567255
methyl 2-(propan-2-ylamino)-4-pyrazol-1-ylbutanoate
CID 63040313
methyl 2-benzyl-3-pyrazol-1-ylpropanoate
CID 22910248
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
CID 61462644
N-[1-(methoxymethyl)cyclopentyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131949420
N-cyclopentyl-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 54951287
ethyl 2-bromo-3-pyrazol-1-ylpropanoate
CID 134975467
N-carbamoyl-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 61462815
ethyl 2-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propanoate
CID 114270845
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate?
The IUPAC name of methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate (CID 42574632) is methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate.
What is the SMILES notation for methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate?
The canonical SMILES for methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate is COC(=O)[C@H](C)Cn1cccn1.
What is the InChIKey of methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate?
The InChIKey is HZAQNPYNRRIGDW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7(8(11)12-2)6-10-5-3-4-9-10/h3-5,7H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate?
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate has a molecular weight of 168.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate is sourced from PubChem (CID 42574632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).