N-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H9ClF2N4O2 — CID 58056364

IUPACN-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C14H9ClF2N4O2/c15-8-2-3-11(23-14(16)17)10(6-8)20-13(22)9-7-19-21-5-1-4-18-12(9)21/h1-7,14H,(H,20,22)
InChIKeyRMGBCINGUSFAEL-UHFFFAOYSA-N
MW338.70 g/mol
LogP3.24
Rot. Bonds4

About N-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056364) has the molecular formula C14H9ClF2N4O2 and a molecular weight of 338.70 g/mol. Its IUPAC name is N-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056364
Molecular FormulaC14H9ClF2N4O2
Molecular Weight338.70 g/mol
Exact Mass338.04
IUPAC NameN-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C14H9ClF2N4O2/c15-8-2-3-11(23-14(16)17)10(6-8)20-13(22)9-7-19-21-5-1-4-18-12(9)21/h1-7,14H,(H,20,22)
InChIKeyRMGBCINGUSFAEL-UHFFFAOYSA-N
XLogP3.24
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056364) is N-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RMGBCINGUSFAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N4O2/c15-8-2-3-11(23-14(16)17)10(6-8)20-13(22)9-7-19-21-5-1-4-18-12(9)21/h1-7,14H,(H,20,22).
What are the key properties of N-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 338.70 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).