3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid

C19H21F3N2O2 — CID 25123136

IUPAC3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid
SMILESO=C(O)CCC1CCC(c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CC1
InChIInChI=1S/C19H21F3N2O2/c20-19(21,22)17-11-16(23-24-17)15-8-6-14(7-9-15)13-4-1-12(2-5-13)3-10-18(25)26/h6-9,11-13H,1-5,10H2,(H,23,24)(H,25,26)
InChIKeyZSAMVIXQLAFSNL-UHFFFAOYSA-N
MW366.38 g/mol
LogP5.23
Rot. Bonds5

About 3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid

3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid (PubChem CID 25123136) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid
PubChem CID25123136
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid
SMILESO=C(O)CCC1CCC(c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CC1
InChIInChI=1S/C19H21F3N2O2/c20-19(21,22)17-11-16(23-24-17)15-8-6-14(7-9-15)13-4-1-12(2-5-13)3-10-18(25)26/h6-9,11-13H,1-5,10H2,(H,23,24)(H,25,26)
InChIKeyZSAMVIXQLAFSNL-UHFFFAOYSA-N
XLogP5.23
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid with MolForge

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Related Compounds

3-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 82123972
(4-(4-(5-trifluoromethyl-1H-pyrazol-3-yl)phenyl)cyclohexyl)acetic acid
CID 25125452
2-[(E)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]methylideneamino]guanidine;2,2,2-trifluoroacetic acid
CID 171349460
3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid
CID 22479773
5-(3-Indazolyl)pentanoic acid
CID 20031061
(3-Phenyl-1H-pyrazol-5-yl)acetic acid
CID 57091455
4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzoic acid
CID 9838663
trans n-Methyl-n-[(4-{4-[5-(trifluoromethyl)-1h-pyrazol-3-yl]phenyl}cyclohexyl)acetyl]glycine
CID 25125450
Trans N-hydroxy-2-(4-{4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}cyclohexyl)acetamide
CID 25125790
Trans N-(methylsulfonyl)-2-(4-{4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}cyclohexyl)acetamide
CID 25126120
trans Ethyl (4-{4-[5-(trifluoromethyl)-1h-pyrazol-3-yl]phenyl}cyclohexyl)acetate
CID 25126784
2-methyl-2-[[2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetyl]amino]propanoic acid
CID 25126785

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid?
The IUPAC name of 3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid (CID 25123136) is 3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid.
What is the SMILES notation for 3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid?
The canonical SMILES for 3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid is O=C(O)CCC1CCC(c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CC1.
What is the InChIKey of 3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid?
The InChIKey is ZSAMVIXQLAFSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c20-19(21,22)17-11-16(23-24-17)15-8-6-14(7-9-15)13-4-1-12(2-5-13)3-10-18(25)26/h6-9,11-13H,1-5,10H2,(H,23,24)(H,25,26).
What are the key properties of 3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid?
3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid has a molecular weight of 366.38 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid is sourced from PubChem (CID 25123136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).