(2R)-2-(3-methylpyrazol-1-yl)propanoate

C7H9N2O2- — CID 7018425

IUPAC(2R)-2-(3-methylpyrazol-1-yl)propanoate
SMILESCc1ccn([C@H](C)C(=O)[O-])n1
InChIInChI=1S/C7H10N2O2/c1-5-3-4-9(8-5)6(2)7(10)11/h3-4,6H,1-2H3,(H,10,11)/p-1/t6-/m1/s1
InChIKeyDITJIAJNAOGEPM-ZCFIWIBFSA-M
MW153.16 g/mol
LogP-0.50
Rot. Bonds2

About (2R)-2-(3-methylpyrazol-1-yl)propanoate

(2R)-2-(3-methylpyrazol-1-yl)propanoate (PubChem CID 7018425) has the molecular formula C7H9N2O2- and a molecular weight of 153.16 g/mol. Its IUPAC name is (2R)-2-(3-methylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Name(2R)-2-(3-methylpyrazol-1-yl)propanoate
PubChem CID7018425
Molecular FormulaC7H9N2O2-
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC Name(2R)-2-(3-methylpyrazol-1-yl)propanoate
SMILESCc1ccn([C@H](C)C(=O)[O-])n1
InChIInChI=1S/C7H10N2O2/c1-5-3-4-9(8-5)6(2)7(10)11/h3-4,6H,1-2H3,(H,10,11)/p-1/t6-/m1/s1
InChIKeyDITJIAJNAOGEPM-ZCFIWIBFSA-M
XLogP-0.50
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(3-methylpyrazol-1-yl)propanoate
CID 66338483
N-cyclopentyl-2-(3-methylpyrazol-1-yl)propanamide
CID 19534188
2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19536880
2-amino-3-(3-methylpyrazol-1-yl)butanoic acid
CID 165475259
N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19534180
N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19537121
(2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid
CID 83484770
(2S)-2-(4-chloro-3-methylpyrazol-1-yl)propanoate
CID 7026082
3-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 165490270
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536949
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536899
2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19536946

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylpyrazol-1-yl)propanoate?
The IUPAC name of (2R)-2-(3-methylpyrazol-1-yl)propanoate (CID 7018425) is (2R)-2-(3-methylpyrazol-1-yl)propanoate.
What is the SMILES notation for (2R)-2-(3-methylpyrazol-1-yl)propanoate?
The canonical SMILES for (2R)-2-(3-methylpyrazol-1-yl)propanoate is Cc1ccn([C@H](C)C(=O)[O-])n1.
What is the InChIKey of (2R)-2-(3-methylpyrazol-1-yl)propanoate?
The InChIKey is DITJIAJNAOGEPM-ZCFIWIBFSA-M. The full InChI is InChI=1S/C7H10N2O2/c1-5-3-4-9(8-5)6(2)7(10)11/h3-4,6H,1-2H3,(H,10,11)/p-1/t6-/m1/s1.
What are the key properties of (2R)-2-(3-methylpyrazol-1-yl)propanoate?
(2R)-2-(3-methylpyrazol-1-yl)propanoate has a molecular weight of 153.16 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylpyrazol-1-yl)propanoate is sourced from PubChem (CID 7018425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).