N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

C16H10F2N4OS — CID 154863256

IUPACN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cc2sccc2[nH]1
InChIInChI=1S/C16H10F2N4OS/c17-9-3-8(4-10(18)5-9)12-7-15(22-21-12)20-16(23)13-6-14-11(19-13)1-2-24-14/h1-7,19H,(H2,20,21,22,23)
InChIKeyDERHHOGYBXFJFL-UHFFFAOYSA-N
MW344.35 g/mol
LogP4.15
Rot. Bonds3

About N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 154863256) has the molecular formula C16H10F2N4OS and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID154863256
Molecular FormulaC16H10F2N4OS
Molecular Weight344.35 g/mol
Exact Mass344.05
IUPAC NameN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cc2sccc2[nH]1
InChIInChI=1S/C16H10F2N4OS/c17-9-3-8(4-10(18)5-9)12-7-15(22-21-12)20-16(23)13-6-14-11(19-13)1-2-24-14/h1-7,19H,(H2,20,21,22,23)
InChIKeyDERHHOGYBXFJFL-UHFFFAOYSA-N
XLogP4.15
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-fluoro-1H-indole-2-carboxamide
CID 154868616
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CID 166182620
6-amino-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 166319450
2-amino-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]pyridine-4-carboxamide
CID 166321531
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
N-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 3228403
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide
CID 166350451
(2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 154757165
N-[N'-butan-2-yl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-chlorobenzamide
CID 123932008
N'-(2-methylpropanoyl)-4H-thieno[3,2-b]pyrrole-5-carbohydrazide
CID 146308203
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-methyl-1H-pyrazole-3-carboxamide;formic acid
CID 163341612
4,5-dimethyl-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-1H-indole-2-carboxamide
CID 167780292

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 154863256) is N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cc2sccc2[nH]1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is DERHHOGYBXFJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4OS/c17-9-3-8(4-10(18)5-9)12-7-15(22-21-12)20-16(23)13-6-14-11(19-13)1-2-24-14/h1-7,19H,(H2,20,21,22,23).
What are the key properties of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 4.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 154863256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).