N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H18F2N4O — CID 4768513

IUPACN-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc2nc(C3CC3)cc(C(F)F)n2n1
InChIInChI=1S/C16H18F2N4O/c17-15(18)13-7-11(9-5-6-9)20-14-8-12(21-22(13)14)16(23)19-10-3-1-2-4-10/h7-10,15H,1-6H2,(H,19,23)
InChIKeyVPVPVUQKTKDCLV-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.22
Rot. Bonds4

About N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4768513) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4768513
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC NameN-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc2nc(C3CC3)cc(C(F)F)n2n1
InChIInChI=1S/C16H18F2N4O/c17-15(18)13-7-11(9-5-6-9)20-14-8-12(21-22(13)14)16(23)19-10-3-1-2-4-10/h7-10,15H,1-6H2,(H,19,23)
InChIKeyVPVPVUQKTKDCLV-UHFFFAOYSA-N
XLogP3.22
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4768513) is N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CCCC1)c1cc2nc(C3CC3)cc(C(F)F)n2n1.
What is the InChIKey of N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is VPVPVUQKTKDCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c17-15(18)13-7-11(9-5-6-9)20-14-8-12(21-22(13)14)16(23)19-10-3-1-2-4-10/h7-10,15H,1-6H2,(H,19,23).
What are the key properties of N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4768513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).