5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile

C18H13N5O — CID 5291155

IUPAC5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESCc1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)o1
InChIInChI=1S/C18H13N5O/c1-12-7-8-15(24-12)9-13(10-19)17-16(11-20)18(21)23(22-17)14-5-3-2-4-6-14/h2-9H,21H2,1H3/b13-9+
InChIKeyQDWAYEPXYNOBMB-UKTHLTGXSA-N
MW315.34 g/mol
LogP3.29
Rot. Bonds3

About 5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile

5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile (PubChem CID 5291155) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile
PubChem CID5291155
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESCc1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)o1
InChIInChI=1S/C18H13N5O/c1-12-7-8-15(24-12)9-13(10-19)17-16(11-20)18(21)23(22-17)14-5-3-2-4-6-14/h2-9H,21H2,1H3/b13-9+
InChIKeyQDWAYEPXYNOBMB-UKTHLTGXSA-N
XLogP3.29
TPSA104.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-Cyano-N-(5-methyl-2-phenyl-2H-pyrazol-3-yl)-3-(5-p-tolyl-furan-2-yl)-acrylamide
CID 1554430
2-cyano-3-(furan-2-yl)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)prop-2-enamide
CID 2421445
5-amino-3-{(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
CID 5290885
5-amino-3-[(Z)-2-[5-(3-chlorophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5724571
5-amino-3-[(Z)-2-[5-(2-chlorophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5286841
5-amino-3-[(Z)-1-cyano-2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5340906
3-(5-Tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine
CID 2742755
3-((1E)-2-cyano-2-(2-furyl)vinyl)-5-amino-1-phenylpyrazole-4-carbonitrile
CID 5752887
3-((1Z)-1-cyano-2-(2-furyl)vinyl)-5-amino-1-phenylpyrazole-4-carbonitrile
CID 5724999
5-amino-3-[(Z)-1-cyano-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5290006
5-Amino-3-[(1Z)-1-cyano-2-[5-(4-fluorophenyl)furan-2-YL]eth-1-EN-1-YL]-1-phenyl-1H-pyrazole-4-carbonitrile
CID 5290592
2,7-Dimethyl-1-(5-methylfuran-2-yl)-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine
CID 3538454

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile (CID 5291155) is 5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile is Cc1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)o1.
What is the InChIKey of 5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The InChIKey is QDWAYEPXYNOBMB-UKTHLTGXSA-N. The full InChI is InChI=1S/C18H13N5O/c1-12-7-8-15(24-12)9-13(10-19)17-16(11-20)18(21)23(22-17)14-5-3-2-4-6-14/h2-9H,21H2,1H3/b13-9+.
What are the key properties of 5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile has a molecular weight of 315.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(Z)-1-cyano-2-(5-methylfuran-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 5291155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).