5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine

C14H19N3 — CID 89058500

IUPAC5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine
SMILESC=C1C=C(C2CCCCC2)N(C)c2ccnn21
InChIInChI=1S/C14H19N3/c1-11-10-13(12-6-4-3-5-7-12)16(2)14-8-9-15-17(11)14/h8-10,12H,1,3-7H2,2H3
InChIKeyPBPWOHLDGOOWCI-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.27
Rot. Bonds1

About 5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine

5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine (PubChem CID 89058500) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine
PubChem CID89058500
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine
SMILESC=C1C=C(C2CCCCC2)N(C)c2ccnn21
InChIInChI=1S/C14H19N3/c1-11-10-13(12-6-4-3-5-7-12)16(2)14-8-9-15-17(11)14/h8-10,12H,1,3-7H2,2H3
InChIKeyPBPWOHLDGOOWCI-UHFFFAOYSA-N
XLogP3.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine (CID 89058500) is 5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine is C=C1C=C(C2CCCCC2)N(C)c2ccnn21.
What is the InChIKey of 5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine?
The InChIKey is PBPWOHLDGOOWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-10-13(12-6-4-3-5-7-12)16(2)14-8-9-15-17(11)14/h8-10,12H,1,3-7H2,2H3.
What are the key properties of 5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine?
5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine has a molecular weight of 229.33 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 89058500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).