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

C16H14F2N4OS — CID 1257459

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C16H14F2N4OS/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/h1-2,5-6,8-9,14H,3-4,7H2,(H,19,23)
InChIKeyLMKLRHGSSSMESQ-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.54
Rot. Bonds5

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

5-cyclopropyl-7-(difluoromethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1257459) has the molecular formula C16H14F2N4OS and a molecular weight of 348.38 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1257459
Molecular FormulaC16H14F2N4OS
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C16H14F2N4OS/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/h1-2,5-6,8-9,14H,3-4,7H2,(H,19,23)
InChIKeyLMKLRHGSSSMESQ-UHFFFAOYSA-N
XLogP3.54
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.54
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-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1257459) is 5-cyclopropyl-7-(difluoromethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1cccs1)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LMKLRHGSSSMESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4OS/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/h1-2,5-6,8-9,14H,3-4,7H2,(H,19,23).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.54, 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-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1257459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).