2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine

C20H27N5 — CID 174064545

IUPAC2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine
SMILESNC=C(/C=N/C1CCCC1)c1cn2nccc2c(C2CCCCC2)n1
InChIInChI=1S/C20H27N5/c21-12-16(13-22-17-8-4-5-9-17)18-14-25-19(10-11-23-25)20(24-18)15-6-2-1-3-7-15/h10-15,17H,1-9,21H2/b16-12?,22-13+
InChIKeyWKCLSZCIISEVLP-VOMMZNNCSA-N
MW337.47 g/mol
LogP4.09
Rot. Bonds4

About 2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine

2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine (PubChem CID 174064545) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine
PubChem CID174064545
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine
SMILESNC=C(/C=N/C1CCCC1)c1cn2nccc2c(C2CCCCC2)n1
InChIInChI=1S/C20H27N5/c21-12-16(13-22-17-8-4-5-9-17)18-14-25-19(10-11-23-25)20(24-18)15-6-2-1-3-7-15/h10-15,17H,1-9,21H2/b16-12?,22-13+
InChIKeyWKCLSZCIISEVLP-VOMMZNNCSA-N
XLogP4.09
TPSA68.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine?
The IUPAC name of 2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine (CID 174064545) is 2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine.
What is the SMILES notation for 2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine?
The canonical SMILES for 2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine is NC=C(/C=N/C1CCCC1)c1cn2nccc2c(C2CCCCC2)n1.
What is the InChIKey of 2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine?
The InChIKey is WKCLSZCIISEVLP-VOMMZNNCSA-N. The full InChI is InChI=1S/C20H27N5/c21-12-16(13-22-17-8-4-5-9-17)18-14-25-19(10-11-23-25)20(24-18)15-6-2-1-3-7-15/h10-15,17H,1-9,21H2/b16-12?,22-13+.
What are the key properties of 2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine?
2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine has a molecular weight of 337.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpyrazolo[1,5-a]pyrazin-6-yl)-3-cyclopentyliminoprop-1-en-1-amine is sourced from PubChem (CID 174064545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).