N-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C14H11ClF4N6O — CID 19283433

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCn1cc(Cl)cn1)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C14H11ClF4N6O/c15-7-5-21-24(6-7)2-1-20-14(26)9-4-11-22-8(12(16)17)3-10(13(18)19)25(11)23-9/h3-6,12-13H,1-2H2,(H,20,26)
InChIKeyXPHHNYLEWLSTSK-UHFFFAOYSA-N
MW390.73 g/mol
LogP2.88
Rot. Bonds6

About N-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19283433) has the molecular formula C14H11ClF4N6O and a molecular weight of 390.73 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19283433
Molecular FormulaC14H11ClF4N6O
Molecular Weight390.73 g/mol
Exact Mass390.06
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCn1cc(Cl)cn1)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C14H11ClF4N6O/c15-7-5-21-24(6-7)2-1-20-14(26)9-4-11-22-8(12(16)17)3-10(13(18)19)25(11)23-9/h3-6,12-13H,1-2H2,(H,20,26)
InChIKeyXPHHNYLEWLSTSK-UHFFFAOYSA-N
XLogP2.88
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.73
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19283433) is N-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCn1cc(Cl)cn1)c1cc2nc(C(F)F)cc(C(F)F)n2n1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XPHHNYLEWLSTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF4N6O/c15-7-5-21-24(6-7)2-1-20-14(26)9-4-11-22-8(12(16)17)3-10(13(18)19)25(11)23-9/h3-6,12-13H,1-2H2,(H,20,26).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 390.73 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19283433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).