N-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H10ClF3N6O2 — CID 162672080

IUPACN-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)(F)F)c1cnn2cccnc12
InChIInChI=1S/C17H10ClF3N6O2/c18-9-2-3-13(29-17(19,20)21)10(6-9)14-12(8-23-26-14)25-16(28)11-7-24-27-5-1-4-22-15(11)27/h1-8H,(H,23,26)(H,25,28)
InChIKeyNIEHIQSXVYAHMA-UHFFFAOYSA-N
MW422.75 g/mol
LogP3.92
Rot. Bonds4

About N-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 162672080) has the molecular formula C17H10ClF3N6O2 and a molecular weight of 422.75 g/mol. Its IUPAC name is N-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID162672080
Molecular FormulaC17H10ClF3N6O2
Molecular Weight422.75 g/mol
Exact Mass422.05
IUPAC NameN-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)(F)F)c1cnn2cccnc12
InChIInChI=1S/C17H10ClF3N6O2/c18-9-2-3-13(29-17(19,20)21)10(6-9)14-12(8-23-26-14)25-16(28)11-7-24-27-5-1-4-22-15(11)27/h1-8H,(H,23,26)(H,25,28)
InChIKeyNIEHIQSXVYAHMA-UHFFFAOYSA-N
XLogP3.92
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.75
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 162672080) is N-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NIEHIQSXVYAHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N6O2/c18-9-2-3-13(29-17(19,20)21)10(6-9)14-12(8-23-26-14)25-16(28)11-7-24-27-5-1-4-22-15(11)27/h1-8H,(H,23,26)(H,25,28).
What are the key properties of N-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 422.75 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 162672080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).