N-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide

C18H20F3N3O2 — CID 25125790

IUPACN-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide
SMILESO=C(CC1CCC(c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CC1)NO
InChIInChI=1S/C18H20F3N3O2/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(25)24-26/h5-8,10-12,26H,1-4,9H2,(H,22,23)(H,24,25)
InChIKeyBOHVPRONYPLWKI-UHFFFAOYSA-N
MW367.37 g/mol
LogP4.26
Rot. Bonds4

About N-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide

N-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide (PubChem CID 25125790) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide
PubChem CID25125790
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide
SMILESO=C(CC1CCC(c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CC1)NO
InChIInChI=1S/C18H20F3N3O2/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(25)24-26/h5-8,10-12,26H,1-4,9H2,(H,22,23)(H,24,25)
InChIKeyBOHVPRONYPLWKI-UHFFFAOYSA-N
XLogP4.26
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-(4-(5-trifluoromethyl-1H-pyrazol-3-yl)phenyl)cyclohexyl)acetic acid
CID 25125452
3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738012
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-(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
5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 57459001
3-[4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazole-5-carboxamide
CID 58121084
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide
CID 58329673
N-[5-[3-amino-2-(3-fluorophenyl)-3-oxopropyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 66644354
4-[5-[(3-cyclopropyl-5-fluorophenyl)methyl]-1H-pyrazol-3-yl]-2-methylbenzamide
CID 68023645

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide?
The IUPAC name of N-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide (CID 25125790) is N-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide is O=C(CC1CCC(c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CC1)NO.
What is the InChIKey of N-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide?
The InChIKey is BOHVPRONYPLWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/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(25)24-26/h5-8,10-12,26H,1-4,9H2,(H,22,23)(H,24,25).
What are the key properties of N-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide?
N-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide has a molecular weight of 367.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide is sourced from PubChem (CID 25125790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).