3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

C18H19N5 — CID 22510239

IUPAC3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCc1cccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCC2)c1
InChIInChI=1S/C18H19N5/c1-12-5-4-6-13(9-12)16-18(21-15-7-2-3-8-15)23-17(22-16)14(10-19)11-20-23/h4-6,9,11,15,20-21H,2-3,7-8H2,1H3
InChIKeyOWGVRBXEUPCQLG-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.86
Rot. Bonds3

About 3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (PubChem CID 22510239) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.

Molecular Properties

Compound Name3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
PubChem CID22510239
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCc1cccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCC2)c1
InChIInChI=1S/C18H19N5/c1-12-5-4-6-13(9-12)16-18(21-15-7-2-3-8-15)23-17(22-16)14(10-19)11-20-23/h4-6,9,11,15,20-21H,2-3,7-8H2,1H3
InChIKeyOWGVRBXEUPCQLG-UHFFFAOYSA-N
XLogP3.86
TPSA68.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The IUPAC name of 3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (CID 22510239) is 3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.
What is the SMILES notation for 3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The canonical SMILES for 3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is Cc1cccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The InChIKey is OWGVRBXEUPCQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-12-5-4-6-13(9-12)16-18(21-15-7-2-3-8-15)23-17(22-16)14(10-19)11-20-23/h4-6,9,11,15,20-21H,2-3,7-8H2,1H3.
What are the key properties of 3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile has a molecular weight of 305.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-2-(3-methylphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is sourced from PubChem (CID 22510239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).