N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide

C15H14F3N3O2 — CID 56790114

IUPACN-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)C1CCCO1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)10-3-1-4-12(7-10)21-9-11(8-19-21)20-14(22)13-5-2-6-23-13/h1,3-4,7-9,13H,2,5-6H2,(H,20,22)
InChIKeySZXMSGPEHFBUSR-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.01
Rot. Bonds3

About N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide

N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide (PubChem CID 56790114) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide
PubChem CID56790114
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)C1CCCO1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)10-3-1-4-12(7-10)21-9-11(8-19-21)20-14(22)13-5-2-6-23-13/h1,3-4,7-9,13H,2,5-6H2,(H,20,22)
InChIKeySZXMSGPEHFBUSR-UHFFFAOYSA-N
XLogP3.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 110014624
N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119785591
1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122084742
N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 55782053
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
1-(2-hydroxyethyl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea
CID 111458949
[(2R)-oxolan-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1222722
N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
CID 47463711
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea
CID 95904873
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 167784680
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide (CID 56790114) is N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide is O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)C1CCCO1.
What is the InChIKey of N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide?
The InChIKey is SZXMSGPEHFBUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)10-3-1-4-12(7-10)21-9-11(8-19-21)20-14(22)13-5-2-6-23-13/h1,3-4,7-9,13H,2,5-6H2,(H,20,22).
What are the key properties of N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide?
N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 56790114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).