1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile

C13H8Cl2N4 — CID 82589144

IUPAC1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile
SMILESN#Cc1cnn2ccn(Cc3cc(Cl)cc(Cl)c3)c12
InChIInChI=1S/C13H8Cl2N4/c14-11-3-9(4-12(15)5-11)8-18-1-2-19-13(18)10(6-16)7-17-19/h1-5,7H,8H2
InChIKeyGSICHLFVCFDHKX-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.36
Rot. Bonds2

About 1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile

1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile (PubChem CID 82589144) has the molecular formula C13H8Cl2N4 and a molecular weight of 291.14 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile
PubChem CID82589144
Molecular FormulaC13H8Cl2N4
Molecular Weight291.14 g/mol
Exact Mass290.01
IUPAC Name1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile
SMILESN#Cc1cnn2ccn(Cc3cc(Cl)cc(Cl)c3)c12
InChIInChI=1S/C13H8Cl2N4/c14-11-3-9(4-12(15)5-11)8-18-1-2-19-13(18)10(6-16)7-17-19/h1-5,7H,8H2
InChIKeyGSICHLFVCFDHKX-UHFFFAOYSA-N
XLogP3.36
TPSA46.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile?
The IUPAC name of 1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile (CID 82589144) is 1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile?
The canonical SMILES for 1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile is N#Cc1cnn2ccn(Cc3cc(Cl)cc(Cl)c3)c12.
What is the InChIKey of 1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile?
The InChIKey is GSICHLFVCFDHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4/c14-11-3-9(4-12(15)5-11)8-18-1-2-19-13(18)10(6-16)7-17-19/h1-5,7H,8H2.
What are the key properties of 1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile?
1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile has a molecular weight of 291.14 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichlorophenyl)methyl]imidazo[2,1-e]pyrazole-7-carbonitrile is sourced from PubChem (CID 82589144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).