4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide

C7H4ClF2N5O — CID 175910736

IUPAC4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESNC(=O)c1c2c(Cl)ncnc2nn1C(F)F
InChIInChI=1S/C7H4ClF2N5O/c8-4-2-3(5(11)16)15(7(9)10)14-6(2)13-1-12-4/h1,7H,(H2,11,16)
InChIKeyRVXWQLNADLVPHT-UHFFFAOYSA-N
MW247.59 g/mol
LogP0.97
Rot. Bonds2

About 4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide

4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide (PubChem CID 175910736) has the molecular formula C7H4ClF2N5O and a molecular weight of 247.59 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
PubChem CID175910736
Molecular FormulaC7H4ClF2N5O
Molecular Weight247.59 g/mol
Exact Mass247.01
IUPAC Name4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESNC(=O)c1c2c(Cl)ncnc2nn1C(F)F
InChIInChI=1S/C7H4ClF2N5O/c8-4-2-3(5(11)16)15(7(9)10)14-6(2)13-1-12-4/h1,7H,(H2,11,16)
InChIKeyRVXWQLNADLVPHT-UHFFFAOYSA-N
XLogP0.97
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.59
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The IUPAC name of 4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide (CID 175910736) is 4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for 4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide is NC(=O)c1c2c(Cl)ncnc2nn1C(F)F.
What is the InChIKey of 4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The InChIKey is RVXWQLNADLVPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2N5O/c8-4-2-3(5(11)16)15(7(9)10)14-6(2)13-1-12-4/h1,7H,(H2,11,16).
What are the key properties of 4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide has a molecular weight of 247.59 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 175910736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).