3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid

C15H17FN2O2 — CID 63278969

IUPAC3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
SMILESCc1nn(Cc2cccc(F)c2)c(C)c1CCC(=O)O
InChIInChI=1S/C15H17FN2O2/c1-10-14(6-7-15(19)20)11(2)18(17-10)9-12-4-3-5-13(16)8-12/h3-5,8H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyIMPGZXHNBPDYSX-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.70
Rot. Bonds5

About 3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid

3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid (PubChem CID 63278969) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
PubChem CID63278969
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
SMILESCc1nn(Cc2cccc(F)c2)c(C)c1CCC(=O)O
InChIInChI=1S/C15H17FN2O2/c1-10-14(6-7-15(19)20)11(2)18(17-10)9-12-4-3-5-13(16)8-12/h3-5,8H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyIMPGZXHNBPDYSX-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63276901
3-[1-[(2-hydroxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 115069748
1-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-one
CID 62728552
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]butanamide
CID 19405944
2-chloro-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19405940
4-fluoro-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19405943
2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294269
1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea
CID 19343544
2-ethyl-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]butanamide
CID 19404141
5-chloro-4-(chloromethyl)-1-[(3-fluorophenyl)methyl]-3-methylpyrazole
CID 63279022
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19404233
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide
CID 22205547

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid (CID 63278969) is 3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid is Cc1nn(Cc2cccc(F)c2)c(C)c1CCC(=O)O.
What is the InChIKey of 3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid?
The InChIKey is IMPGZXHNBPDYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-14(6-7-15(19)20)11(2)18(17-10)9-12-4-3-5-13(16)8-12/h3-5,8H,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid?
3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid has a molecular weight of 276.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid is sourced from PubChem (CID 63278969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).