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

C13H18F3N3O2 — CID 64867824

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCC1(O)CCCCC1
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)10-4-7-19(18-10)8-11(20)17-9-12(21)5-2-1-3-6-12/h4,7,21H,1-3,5-6,8-9H2,(H,17,20)
InChIKeyYENNMQWBYRLAAS-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.71
Rot. Bonds4

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

N-[(1-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 64867824) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID64867824
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCC1(O)CCCCC1
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)10-4-7-19(18-10)8-11(20)17-9-12(21)5-2-1-3-6-12/h4,7,21H,1-3,5-6,8-9H2,(H,17,20)
InChIKeyYENNMQWBYRLAAS-UHFFFAOYSA-N
XLogP1.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 64867824) is N-[(1-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is YENNMQWBYRLAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c14-13(15,16)10-4-7-19(18-10)8-11(20)17-9-12(21)5-2-1-3-6-12/h4,7,21H,1-3,5-6,8-9H2,(H,17,20).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 305.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 64867824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).