6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H27N5O2 — CID 56702046

IUPAC6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NC3CCC(O)CC3)cnn2c1
InChIInChI=1S/C18H27N5O2/c1-3-22(4-2)11-13-9-19-17-16(10-20-23(17)12-13)18(25)21-14-5-7-15(24)8-6-14/h9-10,12,14-15,24H,3-8,11H2,1-2H3,(H,21,25)
InChIKeyQTVHRJLWSKROBU-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.60
Rot. Bonds6

About 6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56702046) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56702046
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NC3CCC(O)CC3)cnn2c1
InChIInChI=1S/C18H27N5O2/c1-3-22(4-2)11-13-9-19-17-16(10-20-23(17)12-13)18(25)21-14-5-7-15(24)8-6-14/h9-10,12,14-15,24H,3-8,11H2,1-2H3,(H,21,25)
InChIKeyQTVHRJLWSKROBU-UHFFFAOYSA-N
XLogP1.60
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56702046) is 6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NC3CCC(O)CC3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QTVHRJLWSKROBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-22(4-2)11-13-9-19-17-16(10-20-23(17)12-13)18(25)21-14-5-7-15(24)8-6-14/h9-10,12,14-15,24H,3-8,11H2,1-2H3,(H,21,25).
What are the key properties of 6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56702046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).