3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine

C14H18N4 — CID 68750306

IUPAC3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESC=CC1(c2c(N)nn3cccnc23)CCCCC1
InChIInChI=1S/C14H18N4/c1-2-14(7-4-3-5-8-14)11-12(15)17-18-10-6-9-16-13(11)18/h2,6,9-10H,1,3-5,7-8H2,(H2,15,17)
InChIKeyMRFCLOIOFWSSPC-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.70
Rot. Bonds2

About 3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine

3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 68750306) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID68750306
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESC=CC1(c2c(N)nn3cccnc23)CCCCC1
InChIInChI=1S/C14H18N4/c1-2-14(7-4-3-5-8-14)11-12(15)17-18-10-6-9-16-13(11)18/h2,6,9-10H,1,3-5,7-8H2,(H2,15,17)
InChIKeyMRFCLOIOFWSSPC-UHFFFAOYSA-N
XLogP2.70
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-Tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 13133084
6-(4-Propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 57326911
6-Phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71453442
Dipropylpyrazolo[1,5-a]pyrimidine
CID 69976662
3-(3-Fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 68751731
2-Piperazin-1-yl-3-(2,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810595
2-Piperazin-1-yl-3-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810597
N'-[3-(3-butyl-5-fluoro-5-methylcyclooctyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-piperidin-4-ylethane-1,2-diamine
CID 123822958
N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 141150483
N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141267635
N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 142791630
6-(2-Azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 170784969

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 68750306) is 3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine is C=CC1(c2c(N)nn3cccnc23)CCCCC1.
What is the InChIKey of 3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is MRFCLOIOFWSSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-14(7-4-3-5-8-14)11-12(15)17-18-10-6-9-16-13(11)18/h2,6,9-10H,1,3-5,7-8H2,(H2,15,17).
What are the key properties of 3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine?
3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethenylcyclohexyl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 68750306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).