3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide

C18H13N5O2 — CID 167537423

IUPAC3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1c(C#N)n[nH]c1C(=O)Nc1ccc2c(c1)C(c1ccoc1)=NC2
InChIInChI=1S/C18H13N5O2/c1-10-15(7-19)22-23-16(10)18(24)21-13-3-2-11-8-20-17(14(11)6-13)12-4-5-25-9-12/h2-6,9H,8H2,1H3,(H,21,24)(H,22,23)
InChIKeyASQUEIMOCUOHNW-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.79
Rot. Bonds3

About 3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide

3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 167537423) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide
PubChem CID167537423
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1c(C#N)n[nH]c1C(=O)Nc1ccc2c(c1)C(c1ccoc1)=NC2
InChIInChI=1S/C18H13N5O2/c1-10-15(7-19)22-23-16(10)18(24)21-13-3-2-11-8-20-17(14(11)6-13)12-4-5-25-9-12/h2-6,9H,8H2,1H3,(H,21,24)(H,22,23)
InChIKeyASQUEIMOCUOHNW-UHFFFAOYSA-N
XLogP2.79
TPSA107.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167625204
3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167572344
2-chloro-3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167542109
N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide
CID 164984999
N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 165048943
5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167578708
5-cyano-3,4-dimethyl-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167627369
5-cyano-N-[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167549456
5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167662281
6-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-4-methylpyridazine-3-carboxamide
CID 155482407
4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
CID 167691136
4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide
CID 155481755

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide (CID 167537423) is 3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide is Cc1c(C#N)n[nH]c1C(=O)Nc1ccc2c(c1)C(c1ccoc1)=NC2.
What is the InChIKey of 3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is ASQUEIMOCUOHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c1-10-15(7-19)22-23-16(10)18(24)21-13-3-2-11-8-20-17(14(11)6-13)12-4-5-25-9-12/h2-6,9H,8H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide?
3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167537423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).