5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H18F2N4O2 — CID 2978511

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C16H18F2N4O2/c17-14(18)13-6-12(9-3-4-9)21-15-11(8-20-22(13)15)16(23)19-7-10-2-1-5-24-10/h6,8-10,14H,1-5,7H2,(H,19,23)
InChIKeyKYVSKINBULNOKW-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.45
Rot. Bonds5

About 5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2978511) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2978511
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C16H18F2N4O2/c17-14(18)13-6-12(9-3-4-9)21-15-11(8-20-22(13)15)16(23)19-7-10-2-1-5-24-10/h6,8-10,14H,1-5,7H2,(H,19,23)
InChIKeyKYVSKINBULNOKW-UHFFFAOYSA-N
XLogP2.45
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2978511) is 5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCC1CCCO1)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KYVSKINBULNOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c17-14(18)13-6-12(9-3-4-9)21-15-11(8-20-22(13)15)16(23)19-7-10-2-1-5-24-10/h6,8-10,14H,1-5,7H2,(H,19,23).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(difluoromethyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2978511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).