7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C8H8F2N4O — CID 142749010

IUPAC7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c1NCC=C2C(F)F
InChIInChI=1S/C8H8F2N4O/c9-6(10)5-1-2-12-8-4(7(11)15)3-13-14(5)8/h1,3,6,12H,2H2,(H2,11,15)
InChIKeyUMJGYDUNZAEWAW-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.51
Rot. Bonds2

About 7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142749010) has the molecular formula C8H8F2N4O and a molecular weight of 214.18 g/mol. Its IUPAC name is 7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID142749010
Molecular FormulaC8H8F2N4O
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c1NCC=C2C(F)F
InChIInChI=1S/C8H8F2N4O/c9-6(10)5-1-2-12-8-4(7(11)15)3-13-14(5)8/h1,3,6,12H,2H2,(H2,11,15)
InChIKeyUMJGYDUNZAEWAW-UHFFFAOYSA-N
XLogP0.51
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142749010) is 7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2c1NCC=C2C(F)F.
What is the InChIKey of 7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UMJGYDUNZAEWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4O/c9-6(10)5-1-2-12-8-4(7(11)15)3-13-14(5)8/h1,3,6,12H,2H2,(H2,11,15).
What are the key properties of 7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 214.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142749010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).