N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H20F2N4O — CID 969631

IUPACN-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)NC3CCCCCC3)c2n1
InChIInChI=1S/C16H20F2N4O/c1-10-8-13(14(17)18)22-15(20-10)12(9-19-22)16(23)21-11-6-4-2-3-5-7-11/h8-9,11,14H,2-7H2,1H3,(H,21,23)
InChIKeyIUWMTKSYTYBCLP-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.43
Rot. Bonds3

About N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 969631) has the molecular formula C16H20F2N4O and a molecular weight of 322.36 g/mol. Its IUPAC name is N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID969631
Molecular FormulaC16H20F2N4O
Molecular Weight322.36 g/mol
Exact Mass322.16
IUPAC NameN-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)NC3CCCCCC3)c2n1
InChIInChI=1S/C16H20F2N4O/c1-10-8-13(14(17)18)22-15(20-10)12(9-19-22)16(23)21-11-6-4-2-3-5-7-11/h8-9,11,14H,2-7H2,1H3,(H,21,23)
InChIKeyIUWMTKSYTYBCLP-UHFFFAOYSA-N
XLogP3.43
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 969631) is N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C(F)F)n2ncc(C(=O)NC3CCCCCC3)c2n1.
What is the InChIKey of N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IUWMTKSYTYBCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O/c1-10-8-13(14(17)18)22-15(20-10)12(9-19-22)16(23)21-11-6-4-2-3-5-7-11/h8-9,11,14H,2-7H2,1H3,(H,21,23).
What are the key properties of N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 969631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).