N-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H22N4O2 — CID 58063155

IUPACN-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC1CCC(NC(=O)c2cnn3ccc(OC)nc23)CC1
InChIInChI=1S/C16H22N4O2/c1-3-11-4-6-12(7-5-11)18-16(21)13-10-17-20-9-8-14(22-2)19-15(13)20/h8-12H,3-7H2,1-2H3,(H,18,21)
InChIKeyXZVVRCXLKVWSIS-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.44
Rot. Bonds4

About N-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063155) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063155
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC1CCC(NC(=O)c2cnn3ccc(OC)nc23)CC1
InChIInChI=1S/C16H22N4O2/c1-3-11-4-6-12(7-5-11)18-16(21)13-10-17-20-9-8-14(22-2)19-15(13)20/h8-12H,3-7H2,1-2H3,(H,18,21)
InChIKeyXZVVRCXLKVWSIS-UHFFFAOYSA-N
XLogP2.44
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063155) is N-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC1CCC(NC(=O)c2cnn3ccc(OC)nc23)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XZVVRCXLKVWSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-11-4-6-12(7-5-11)18-16(21)13-10-17-20-9-8-14(22-2)19-15(13)20/h8-12H,3-7H2,1-2H3,(H,18,21).
What are the key properties of N-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).