5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H30N6O — CID 142866489

IUPAC5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CC(C2CCCCC2)Nc2c(C(=O)NCCCn3ccnc3)cnn21
InChIInChI=1S/C20H30N6O/c1-15-12-18(16-6-3-2-4-7-16)24-19-17(13-23-26(15)19)20(27)22-8-5-10-25-11-9-21-14-25/h9,11,13-16,18,24H,2-8,10,12H2,1H3,(H,22,27)
InChIKeyXXTOENTYQQDKMQ-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.23
Rot. Bonds6

About 5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142866489) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID142866489
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CC(C2CCCCC2)Nc2c(C(=O)NCCCn3ccnc3)cnn21
InChIInChI=1S/C20H30N6O/c1-15-12-18(16-6-3-2-4-7-16)24-19-17(13-23-26(15)19)20(27)22-8-5-10-25-11-9-21-14-25/h9,11,13-16,18,24H,2-8,10,12H2,1H3,(H,22,27)
InChIKeyXXTOENTYQQDKMQ-UHFFFAOYSA-N
XLogP3.23
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142866489) is 5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1CC(C2CCCCC2)Nc2c(C(=O)NCCCn3ccnc3)cnn21.
What is the InChIKey of 5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XXTOENTYQQDKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-15-12-18(16-6-3-2-4-7-16)24-19-17(13-23-26(15)19)20(27)22-8-5-10-25-11-9-21-14-25/h9,11,13-16,18,24H,2-8,10,12H2,1H3,(H,22,27).
What are the key properties of 5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-(3-imidazol-1-ylpropyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142866489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).