methyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate

C15H18N2O2 — CID 659509

IUPACmethyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate
SMILESCOC(=O)CCc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C15H18N2O2/c1-11-14(9-10-15(18)19-3)12(2)17(16-11)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKeySKQSIOXBAFIHOT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.59
Rot. Bonds4

About methyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate

methyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate (PubChem CID 659509) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate
PubChem CID659509
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namemethyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate
SMILESCOC(=O)CCc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C15H18N2O2/c1-11-14(9-10-15(18)19-3)12(2)17(16-11)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKeySKQSIOXBAFIHOT-UHFFFAOYSA-N
XLogP2.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate
CID 2741137
3-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 783977
3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 783981
2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetic acid
CID 793026
3-Cyclopentapyrazoleacetic acid, 1,4,5,6-tetrahydro-1-phenyl-
CID 210671
1H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-1-phenyl-
CID 210672
2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetic acid
CID 17984203
ethyl 2-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(N-hydroxyimino)acetate
CID 9698942
Methyl 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetate
CID 10495935
2-(4-Ethyl-1,5-diphenylpyrazol-3-yl)acetic acid
CID 10614604
3-[1-(2-Chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 43381480
3-[1-(3,5-Dichlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 93786703

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate?
The IUPAC name of methyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate (CID 659509) is methyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate.
What is the SMILES notation for methyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate?
The canonical SMILES for methyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate is COC(=O)CCc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of methyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate?
The InChIKey is SKQSIOXBAFIHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-14(9-10-15(18)19-3)12(2)17(16-11)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3.
What are the key properties of methyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate?
methyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate has a molecular weight of 258.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate is sourced from PubChem (CID 659509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).