7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C14H15F2N5O2 — CID 146124124

IUPAC7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1cnn2c(C(=O)NC3CCC(F)(F)CC3)ccnc12
InChIInChI=1S/C14H15F2N5O2/c15-14(16)4-1-8(2-5-14)20-13(23)10-3-6-18-12-9(11(17)22)7-19-21(10)12/h3,6-8H,1-2,4-5H2,(H2,17,22)(H,20,23)
InChIKeyKZNOYCWHGGQSLQ-UHFFFAOYSA-N
MW323.30 g/mol
LogP1.14
Rot. Bonds3

About 7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 146124124) has the molecular formula C14H15F2N5O2 and a molecular weight of 323.30 g/mol. Its IUPAC name is 7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID146124124
Molecular FormulaC14H15F2N5O2
Molecular Weight323.30 g/mol
Exact Mass323.12
IUPAC Name7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1cnn2c(C(=O)NC3CCC(F)(F)CC3)ccnc12
InChIInChI=1S/C14H15F2N5O2/c15-14(16)4-1-8(2-5-14)20-13(23)10-3-6-18-12-9(11(17)22)7-19-21(10)12/h3,6-8H,1-2,4-5H2,(H2,17,22)(H,20,23)
InChIKeyKZNOYCWHGGQSLQ-UHFFFAOYSA-N
XLogP1.14
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 146124124) is 7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is NC(=O)c1cnn2c(C(=O)NC3CCC(F)(F)CC3)ccnc12.
What is the InChIKey of 7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is KZNOYCWHGGQSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O2/c15-14(16)4-1-8(2-5-14)20-13(23)10-3-6-18-12-9(11(17)22)7-19-21(10)12/h3,6-8H,1-2,4-5H2,(H2,17,22)(H,20,23).
What are the key properties of 7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 323.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 146124124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).