2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid

C14H15FN2O2 — CID 61294269

IUPAC2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1CC(=O)O
InChIInChI=1S/C14H15FN2O2/c1-9-13(7-14(18)19)10(2)17(16-9)8-11-3-5-12(15)6-4-11/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyWPIDMVMGYNAXOV-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.31
Rot. Bonds4

About 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid

2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid (PubChem CID 61294269) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
PubChem CID61294269
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1CC(=O)O
InChIInChI=1S/C14H15FN2O2/c1-9-13(7-14(18)19)10(2)17(16-9)8-11-3-5-12(15)6-4-11/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyWPIDMVMGYNAXOV-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]acetic acid
CID 61294642
2-[3,5-dimethyl-1-[[4-(1-phenoxyethyl)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 58071750
2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63275185
2-[1-[[4-[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 58071726
2-[1-[[4-(cyclohexa-1,3-dien-1-yloxymethyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 90184434
1-[(4-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784476
1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one
CID 61236507
2-[1-[[4-[(4-bromo-2,5-dimethylbenzoyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 58071801
3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63278969
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzoic acid
CID 84612805
1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 19447780
2-[3,5-dimethyl-1-[[4-[[(1S,3S,5S,7R)-5-methyltricyclo[5.2.1.03,9]decane-2-carbonyl]amino]phenyl]methyl]pyrazol-4-yl]acetic acid
CID 126490262

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid (CID 61294269) is 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid is Cc1nn(Cc2ccc(F)cc2)c(C)c1CC(=O)O.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
The InChIKey is WPIDMVMGYNAXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9-13(7-14(18)19)10(2)17(16-9)8-11-3-5-12(15)6-4-11/h3-6H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid has a molecular weight of 262.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 61294269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).