N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide

C17H18F3N3O3 — CID 129356006

IUPACN-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)26-14-6-4-12(5-7-14)16(24)22-13-9-21-23(10-13)11-15-3-1-2-8-25-15/h4-7,9-10,15H,1-3,8,11H2,(H,22,24)/t15-/m1/s1
InChIKeySKXIYEDLRJSLMX-OAHLLOKOSA-N
MW369.34 g/mol
LogP3.60
Rot. Bonds5

About N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide

N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 129356006) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
PubChem CID129356006
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC NameN-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)26-14-6-4-12(5-7-14)16(24)22-13-9-21-23(10-13)11-15-3-1-2-8-25-15/h4-7,9-10,15H,1-3,8,11H2,(H,22,24)/t15-/m1/s1
InChIKeySKXIYEDLRJSLMX-OAHLLOKOSA-N
XLogP3.60
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
4-nitro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145194
2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 121145209
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121145309
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 129354398
2-bromo-5-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145129
4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 136578207
3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145179
3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 86999899
2-bromo-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129354375

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide (CID 129356006) is N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide is O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is SKXIYEDLRJSLMX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c18-17(19,20)26-14-6-4-12(5-7-14)16(24)22-13-9-21-23(10-13)11-15-3-1-2-8-25-15/h4-7,9-10,15H,1-3,8,11H2,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide?
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 369.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 129356006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).