5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H30N4O2 — CID 121327414

IUPAC5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCCOC1CCC(NC(=O)c2cnn3c(C)cc(C)nc23)CC1
InChIInChI=1S/C20H30N4O2/c1-4-5-6-11-26-17-9-7-16(8-10-17)23-20(25)18-13-21-24-15(3)12-14(2)22-19(18)24/h12-13,16-17H,4-11H2,1-3H3,(H,23,25)
InChIKeyHZILSILAELSWKN-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.59
Rot. Bonds7

About 5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121327414) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID121327414
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCCOC1CCC(NC(=O)c2cnn3c(C)cc(C)nc23)CC1
InChIInChI=1S/C20H30N4O2/c1-4-5-6-11-26-17-9-7-16(8-10-17)23-20(25)18-13-21-24-15(3)12-14(2)22-19(18)24/h12-13,16-17H,4-11H2,1-3H3,(H,23,25)
InChIKeyHZILSILAELSWKN-UHFFFAOYSA-N
XLogP3.59
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121327414) is 5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCCCOC1CCC(NC(=O)c2cnn3c(C)cc(C)nc23)CC1.
What is the InChIKey of 5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HZILSILAELSWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-4-5-6-11-26-17-9-7-16(8-10-17)23-20(25)18-13-21-24-15(3)12-14(2)22-19(18)24/h12-13,16-17H,4-11H2,1-3H3,(H,23,25).
What are the key properties of 5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121327414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).