N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C18H14F3N3O — CID 112820316

IUPACN-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)15-4-2-1-3-12(15)13-8-14(13)17(25)23-11-6-5-10-9-22-24-16(10)7-11/h1-7,9,13-14H,8H2,(H,22,24)(H,23,25)
InChIKeyZLXSYHZEEDRZMP-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.32
Rot. Bonds3

About N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 112820316) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID112820316
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC NameN-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)15-4-2-1-3-12(15)13-8-14(13)17(25)23-11-6-5-10-9-22-24-16(10)7-11/h1-7,9,13-14H,8H2,(H,22,24)(H,23,25)
InChIKeyZLXSYHZEEDRZMP-UHFFFAOYSA-N
XLogP4.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 71897401
N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112812976
N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 134055578
cis-(1S,2R)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 97314027
N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2445030
1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896278
cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 97004714
N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 71899915
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112806379
N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110731200
N-(1H-indazol-6-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 136529699
1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117073639

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 112820316) is N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc2cn[nH]c2c1)C1CC1c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ZLXSYHZEEDRZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-18(20,21)15-4-2-1-3-12(15)13-8-14(13)17(25)23-11-6-5-10-9-22-24-16(10)7-11/h1-7,9,13-14H,8H2,(H,22,24)(H,23,25).
What are the key properties of N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 112820316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).