trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide

C8H8F3N3O — CID 126793656

IUPACtrans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)6-1-5(6)7(15)14-4-2-12-13-3-4/h2-3,5-6H,1H2,(H,12,13)(H,14,15)/t5-,6-/m1/s1
InChIKeyNBDBRJVIHKHPRI-PHDIDXHHSA-N
MW219.17 g/mol
LogP1.55
Rot. Bonds2

About trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 126793656) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID126793656
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Nametrans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)6-1-5(6)7(15)14-4-2-12-13-3-4/h2-3,5-6H,1H2,(H,12,13)(H,14,15)/t5-,6-/m1/s1
InChIKeyNBDBRJVIHKHPRI-PHDIDXHHSA-N
XLogP1.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide hydrochloride
CID 165469821
N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006229
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 126789290
2,2,2-Trifluoro-N-(1H-pyrazol-4-yl)acetamide
CID 60999972
N-(1H-pyrazol-4-yl)cyclohexanecarboxamide
CID 43429406
5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43429719
3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide
CID 43430688
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-methylcyclopropane-1-carboxamide
CID 60322590
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
CID 60323822
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60506980
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708423
4,4,4-trifluoro-N-(1H-pyrazol-4-yl)butanamide
CID 65711581

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 126793656) is trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide is O=C(Nc1cn[nH]c1)[C@@H]1C[C@H]1C(F)(F)F.
What is the InChIKey of trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is NBDBRJVIHKHPRI-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)6-1-5(6)7(15)14-4-2-12-13-3-4/h2-3,5-6H,1H2,(H,12,13)(H,14,15)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 219.17 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 126793656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).