N-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H16F3N3O2 — CID 43389135

IUPACN-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NC1CCC(O)CC1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)10-5-6-18(17-10)7-11(20)16-8-1-3-9(19)4-2-8/h5-6,8-9,19H,1-4,7H2,(H,16,20)
InChIKeyYJXDNECKYANYEP-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.32
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 43389135) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID43389135
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NC1CCC(O)CC1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)10-5-6-18(17-10)7-11(20)16-8-1-3-9(19)4-2-8/h5-6,8-9,19H,1-4,7H2,(H,16,20)
InChIKeyYJXDNECKYANYEP-UHFFFAOYSA-N
XLogP1.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 43389135) is N-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is YJXDNECKYANYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c13-12(14,15)10-5-6-18(17-10)7-11(20)16-8-1-3-9(19)4-2-8/h5-6,8-9,19H,1-4,7H2,(H,16,20).
What are the key properties of N-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 291.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 43389135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).