N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide

C13H9F3N4O — CID 162634789

IUPACN-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1n[nH]c2cc(C(F)(F)F)ccc12)c1ccc[nH]1
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)7-3-4-8-10(6-7)19-20-11(8)18-12(21)9-2-1-5-17-9/h1-6,17H,(H2,18,19,20,21)
InChIKeyIMNMPSKJINVQRD-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.16
Rot. Bonds2

About N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide

N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 162634789) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID162634789
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC NameN-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1n[nH]c2cc(C(F)(F)F)ccc12)c1ccc[nH]1
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)7-3-4-8-10(6-7)19-20-11(8)18-12(21)9-2-1-5-17-9/h1-6,17H,(H2,18,19,20,21)
InChIKeyIMNMPSKJINVQRD-UHFFFAOYSA-N
XLogP3.16
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 9400205
N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480984
formic acid;6-(1,2,4-triazol-4-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]pyridine-2-carboxamide
CID 163341523
N-[N'-tert-butyl-N-[6-(trifluoromethyl)-1H-indazol-3-yl]carbamimidoyl]-4-fluorobenzamide
CID 72944195
2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide
CID 162631038
2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone
CID 84709123
2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide
CID 69063668
N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
CID 155963071
N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 124888347
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide
CID 72628295
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide
CID 69061980
N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide
CID 143770344

Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide (CID 162634789) is N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide is O=C(Nc1n[nH]c2cc(C(F)(F)F)ccc12)c1ccc[nH]1.
What is the InChIKey of N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is IMNMPSKJINVQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c14-13(15,16)7-3-4-8-10(6-7)19-20-11(8)18-12(21)9-2-1-5-17-9/h1-6,17H,(H2,18,19,20,21).
What are the key properties of N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide?
N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 294.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 162634789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).