5-cyclopropyl-7-(difluoromethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H13F2N5O — CID 1257401

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C16H13F2N5O/c17-14(18)13-6-12(9-3-4-9)22-15-11(8-20-23(13)15)16(24)21-10-2-1-5-19-7-10/h1-2,5-9,14H,3-4H2,(H,21,24)
InChIKeyHGLOSYGBONTJOC-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.19
Rot. Bonds4

About 5-cyclopropyl-7-(difluoromethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclopropyl-7-(difluoromethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1257401) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1257401
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C16H13F2N5O/c17-14(18)13-6-12(9-3-4-9)22-15-11(8-20-23(13)15)16(24)21-10-2-1-5-19-7-10/h1-2,5-9,14H,3-4H2,(H,21,24)
InChIKeyHGLOSYGBONTJOC-UHFFFAOYSA-N
XLogP3.19
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.19
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-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1257401) is 5-cyclopropyl-7-(difluoromethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cccnc1)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HGLOSYGBONTJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c17-14(18)13-6-12(9-3-4-9)22-15-11(8-20-23(13)15)16(24)21-10-2-1-5-19-7-10/h1-2,5-9,14H,3-4H2,(H,21,24).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 3.19, 4 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-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1257401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).