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

C14H16N2O2 — CID 173104596

IUPACbenzyl 2-(1-methylpyrazol-3-yl)propanoate
SMILESCC(C(=O)OCc1ccccc1)c1ccn(C)n1
InChIInChI=1S/C14H16N2O2/c1-11(13-8-9-16(2)15-13)14(17)18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyZPWZHSOWHXPJLD-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.27
Rot. Bonds4

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

benzyl 2-(1-methylpyrazol-3-yl)propanoate (PubChem CID 173104596) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is benzyl 2-(1-methylpyrazol-3-yl)propanoate.

Molecular Properties

Compound Namebenzyl 2-(1-methylpyrazol-3-yl)propanoate
PubChem CID173104596
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namebenzyl 2-(1-methylpyrazol-3-yl)propanoate
SMILESCC(C(=O)OCc1ccccc1)c1ccn(C)n1
InChIInChI=1S/C14H16N2O2/c1-11(13-8-9-16(2)15-13)14(17)18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyZPWZHSOWHXPJLD-UHFFFAOYSA-N
XLogP2.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanoate
CID 106484113
benzyl 2-(4,5-dimethyl-1,2,4-triazol-3-yl)propanoate
CID 166954415
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
benzyl (2R)-2-methyl-3-oxobutanoate
CID 101065434
benzyl 3-hydroxybutanoate
CID 562226
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
benzyl 3,4-dimethylhexanoate
CID 123356915
benzyl (2S,3R)-2-carbamoyl-3-hydroxybutanoate
CID 22843274
benzyl 4-amino-3-methylpentanoate
CID 174893438
bis(benzyl (3R)-3-aminobutanoate);sulfuric acid
CID 127256440
benzyl 4-amino-3-benzyl-2-methyl-4-oxobutanoate
CID 90829390

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(1-methylpyrazol-3-yl)propanoate?
The IUPAC name of benzyl 2-(1-methylpyrazol-3-yl)propanoate (CID 173104596) is benzyl 2-(1-methylpyrazol-3-yl)propanoate.
What is the SMILES notation for benzyl 2-(1-methylpyrazol-3-yl)propanoate?
The canonical SMILES for benzyl 2-(1-methylpyrazol-3-yl)propanoate is CC(C(=O)OCc1ccccc1)c1ccn(C)n1.
What is the InChIKey of benzyl 2-(1-methylpyrazol-3-yl)propanoate?
The InChIKey is ZPWZHSOWHXPJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11(13-8-9-16(2)15-13)14(17)18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3.
What are the key properties of benzyl 2-(1-methylpyrazol-3-yl)propanoate?
benzyl 2-(1-methylpyrazol-3-yl)propanoate has a molecular weight of 244.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(1-methylpyrazol-3-yl)propanoate is sourced from PubChem (CID 173104596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).