5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

C19H15N5O — CID 2851332

IUPAC5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
SMILESN#CC(=Cc1cccc2ccccc12)c1nn(CCO)c(N)c1C#N
InChIInChI=1S/C19H15N5O/c20-11-15(18-17(12-21)19(22)24(23-18)8-9-25)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,25H,8-9,22H2
InChIKeyACYKMQHFKZVFEB-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.55
Rot. Bonds4

About 5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile (PubChem CID 2851332) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
PubChem CID2851332
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
SMILESN#CC(=Cc1cccc2ccccc12)c1nn(CCO)c(N)c1C#N
InChIInChI=1S/C19H15N5O/c20-11-15(18-17(12-21)19(22)24(23-18)8-9-25)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,25H,8-9,22H2
InChIKeyACYKMQHFKZVFEB-UHFFFAOYSA-N
XLogP2.55
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(Z)-1-cyano-2-(2,4-difluorophenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 21230348
5-amino-3-[2-(3-bromophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 2872404
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-[1-[(2-fluorophenyl)methyl]indol-3-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 2898015
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-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 5287321
5-amino-3-[(Z)-2-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 21208631
5-amino-3-[2-[5-(4-bromophenyl)furan-2-yl]-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 3904542
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
5-amino-3-[(Z)-2-cyano-2-(furan-2-yl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 56687805

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile (CID 2851332) is 5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is N#CC(=Cc1cccc2ccccc12)c1nn(CCO)c(N)c1C#N.
What is the InChIKey of 5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The InChIKey is ACYKMQHFKZVFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-11-15(18-17(12-21)19(22)24(23-18)8-9-25)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,25H,8-9,22H2.
What are the key properties of 5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile has a molecular weight of 329.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1-cyano-2-naphthalen-1-ylethenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 2851332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).