N-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H22F2N4O — CID 121327417

IUPACN-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NC(C)C3CCC(F)(F)CC3)c2n1
InChIInChI=1S/C17H22F2N4O/c1-10-8-11(2)23-15(21-10)14(9-20-23)16(24)22-12(3)13-4-6-17(18,19)7-5-13/h8-9,12-13H,4-7H2,1-3H3,(H,22,24)
InChIKeyURNLHTHJDZJYJM-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.29
Rot. Bonds3

About N-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121327417) has the molecular formula C17H22F2N4O and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID121327417
Molecular FormulaC17H22F2N4O
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC NameN-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NC(C)C3CCC(F)(F)CC3)c2n1
InChIInChI=1S/C17H22F2N4O/c1-10-8-11(2)23-15(21-10)14(9-20-23)16(24)22-12(3)13-4-6-17(18,19)7-5-13/h8-9,12-13H,4-7H2,1-3H3,(H,22,24)
InChIKeyURNLHTHJDZJYJM-UHFFFAOYSA-N
XLogP3.29
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121327417) is N-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)NC(C)C3CCC(F)(F)CC3)c2n1.
What is the InChIKey of N-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is URNLHTHJDZJYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O/c1-10-8-11(2)23-15(21-10)14(9-20-23)16(24)22-12(3)13-4-6-17(18,19)7-5-13/h8-9,12-13H,4-7H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluorocyclohexyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121327417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).