2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid

C18H19F3N2O2 — CID 25125452

IUPAC2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CC1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)16-10-15(22-23-16)14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-17(24)25/h5-8,10-12H,1-4,9H2,(H,22,23)(H,24,25)
InChIKeyYPHFQSYEKIEMNC-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.84
Rot. Bonds4

About 2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid

2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid (PubChem CID 25125452) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid
PubChem CID25125452
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CC1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)16-10-15(22-23-16)14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-17(24)25/h5-8,10-12H,1-4,9H2,(H,22,23)(H,24,25)
InChIKeyYPHFQSYEKIEMNC-UHFFFAOYSA-N
XLogP4.84
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 82123972
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
3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid
CID 25123136
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 2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid (CID 25125452) is 2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid is O=C(O)CC1CCC(c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CC1.
What is the InChIKey of 2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid?
The InChIKey is YPHFQSYEKIEMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c19-18(20,21)16-10-15(22-23-16)14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-17(24)25/h5-8,10-12H,1-4,9H2,(H,22,23)(H,24,25).
What are the key properties of 2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid has a molecular weight of 352.36 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 25125452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).