5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

C13H11N5O2 — CID 56687805

IUPAC5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
SMILESN#C/C(=C/c1nn(CCO)c(N)c1C#N)c1ccco1
InChIInChI=1S/C13H11N5O2/c14-7-9(12-2-1-5-20-12)6-11-10(8-15)13(16)18(17-11)3-4-19/h1-2,5-6,19H,3-4,16H2/b9-6-
InChIKeyFCDXDKVPVSXBQM-TWGQIWQCSA-N
MW269.26 g/mol
LogP0.99
Rot. Bonds4

About 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile (PubChem CID 56687805) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
PubChem CID56687805
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
SMILESN#C/C(=C/c1nn(CCO)c(N)c1C#N)c1ccco1
InChIInChI=1S/C13H11N5O2/c14-7-9(12-2-1-5-20-12)6-11-10(8-15)13(16)18(17-11)3-4-19/h1-2,5-6,19H,3-4,16H2/b9-6-
InChIKeyFCDXDKVPVSXBQM-TWGQIWQCSA-N
XLogP0.99
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 92970259
5-amino-3-[2-[4-[2-[5-amino-4-cyano-1-(2-hydroxyethyl)pyrazol-3-yl]-2-cyanoethenyl]phenyl]-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 3106912
5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 2851332
5-amino-3-[(E)-1-cyano-2-(4-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 92885692
5-amino-3-[2-(3-bromophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 2872404
5-amino-3-[(E)-1-cyano-2-(4-propan-2-ylphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 92885646
5-amino-3-[(Z)-1-cyano-2-(2,4-difluorophenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 21230348
5-amino-3-[2-[5-(4-bromophenyl)furan-2-yl]-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 3904542
(Z)-2-(furan-2-yl)-3-hydroxyprop-2-enenitrile
CID 119089971
5-amino-3-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 2855889
5-amino-3-[1-cyano-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 2856527
5-amino-3-[(Z)-1-cyano-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 5287378

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile (CID 56687805) is 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is N#C/C(=C/c1nn(CCO)c(N)c1C#N)c1ccco1.
What is the InChIKey of 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The InChIKey is FCDXDKVPVSXBQM-TWGQIWQCSA-N. The full InChI is InChI=1S/C13H11N5O2/c14-7-9(12-2-1-5-20-12)6-11-10(8-15)13(16)18(17-11)3-4-19/h1-2,5-6,19H,3-4,16H2/b9-6-.
What are the key properties of 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile has a molecular weight of 269.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 56687805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).