5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile

C10H9N3O — CID 121212601

IUPAC5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile
SMILESCCc1[nH]nc(-c2ccoc2)c1C#N
InChIInChI=1S/C10H9N3O/c1-2-9-8(5-11)10(13-12-9)7-3-4-14-6-7/h3-4,6H,2H2,1H3,(H,12,13)
InChIKeyXMWZSLJDVHBEFY-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.10
Rot. Bonds2

About 5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile

5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile (PubChem CID 121212601) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile
PubChem CID121212601
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile
SMILESCCc1[nH]nc(-c2ccoc2)c1C#N
InChIInChI=1S/C10H9N3O/c1-2-9-8(5-11)10(13-12-9)7-3-4-14-6-7/h3-4,6H,2H2,1H3,(H,12,13)
InChIKeyXMWZSLJDVHBEFY-UHFFFAOYSA-N
XLogP2.10
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile
CID 121212676
5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile
CID 121212603
4-(azidomethyl)-5-ethyl-3-(furan-3-yl)-1H-pyrazole
CID 121212608
1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine
CID 121212654
2-amino-4-(furan-3-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 10469515
3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile
CID 121212239
5-ethyl-N-(furan-3-ylmethyl)-4-methyl-1H-pyrazol-3-amine
CID 115735786
5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carbonitrile
CID 121212221
3-(furan-3-yl)benzene-1,2-dicarbonitrile
CID 76539722
3-(furan-3-yl)-5-propan-2-yl-1H-1,2,4-triazole
CID 61351300
5-ethyl-4-methyl-3-phenyl-1H-pyrazole
CID 134439971
4-(bromomethyl)-5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole
CID 121211432

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile (CID 121212601) is 5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile is CCc1[nH]nc(-c2ccoc2)c1C#N.
What is the InChIKey of 5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile?
The InChIKey is XMWZSLJDVHBEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-2-9-8(5-11)10(13-12-9)7-3-4-14-6-7/h3-4,6H,2H2,1H3,(H,12,13).
What are the key properties of 5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile?
5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile has a molecular weight of 187.20 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 121212601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).