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

C12H10F4N4O — CID 4776018

IUPAC5,7-bis(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESC=CCNC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C12H10F4N4O/c1-2-3-17-12(21)7-5-9-18-6(10(13)14)4-8(11(15)16)20(9)19-7/h2,4-5,10-11H,1,3H2,(H,17,21)
InChIKeyHQRFNJZGURURKM-UHFFFAOYSA-N
MW302.23 g/mol
LogP2.52
Rot. Bonds5

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

5,7-bis(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4776018) has the molecular formula C12H10F4N4O and a molecular weight of 302.23 g/mol. Its IUPAC name is 5,7-bis(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-bis(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4776018
Molecular FormulaC12H10F4N4O
Molecular Weight302.23 g/mol
Exact Mass302.08
IUPAC Name5,7-bis(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESC=CCNC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C12H10F4N4O/c1-2-3-17-12(21)7-5-9-18-6(10(13)14)4-8(11(15)16)20(9)19-7/h2,4-5,10-11H,1,3H2,(H,17,21)
InChIKeyHQRFNJZGURURKM-UHFFFAOYSA-N
XLogP2.52
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 52.52
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 5,7-bis(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-bis(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4776018) is 5,7-bis(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-bis(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-bis(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide is C=CCNC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1.
What is the InChIKey of 5,7-bis(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HQRFNJZGURURKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N4O/c1-2-3-17-12(21)7-5-9-18-6(10(13)14)4-8(11(15)16)20(9)19-7/h2,4-5,10-11H,1,3H2,(H,17,21).
What are the key properties of 5,7-bis(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-bis(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 302.23 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(difluoromethyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4776018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).