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

C14H14F2N4O — CID 2243233

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESC=CCNC(=O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
InChIInChI=1S/C14H14F2N4O/c1-2-5-17-14(21)10-7-12-18-9(8-3-4-8)6-11(13(15)16)20(12)19-10/h2,6-8,13H,1,3-5H2,(H,17,21)
InChIKeySYHKFMQGYBUBRJ-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.46
Rot. Bonds5

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

5-cyclopropyl-7-(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2243233) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2243233
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESC=CCNC(=O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
InChIInChI=1S/C14H14F2N4O/c1-2-5-17-14(21)10-7-12-18-9(8-3-4-8)6-11(13(15)16)20(12)19-10/h2,6-8,13H,1,3-5H2,(H,17,21)
InChIKeySYHKFMQGYBUBRJ-UHFFFAOYSA-N
XLogP2.46
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2243233) is 5-cyclopropyl-7-(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide is C=CCNC(=O)c1cc2nc(C3CC3)cc(C(F)F)n2n1.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is SYHKFMQGYBUBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c1-2-5-17-14(21)10-7-12-18-9(8-3-4-8)6-11(13(15)16)20(12)19-10/h2,6-8,13H,1,3-5H2,(H,17,21).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2243233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).