6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H14ClF3N4O3 — CID 25073395

IUPAC6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCO)c1cnn2cc(Cc3ccc(Cl)c(OC(F)(F)F)c3)cnc12
InChIInChI=1S/C17H14ClF3N4O3/c18-13-2-1-10(6-14(13)28-17(19,20)21)5-11-7-23-15-12(8-24-25(15)9-11)16(27)22-3-4-26/h1-2,6-9,26H,3-5H2,(H,22,27)
InChIKeyIUZCYVWQJRVVNA-UHFFFAOYSA-N
MW414.77 g/mol
LogP2.59
Rot. Bonds6

About 6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 25073395) has the molecular formula C17H14ClF3N4O3 and a molecular weight of 414.77 g/mol. Its IUPAC name is 6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID25073395
Molecular FormulaC17H14ClF3N4O3
Molecular Weight414.77 g/mol
Exact Mass414.07
IUPAC Name6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCO)c1cnn2cc(Cc3ccc(Cl)c(OC(F)(F)F)c3)cnc12
InChIInChI=1S/C17H14ClF3N4O3/c18-13-2-1-10(6-14(13)28-17(19,20)21)5-11-7-23-15-12(8-24-25(15)9-11)16(27)22-3-4-26/h1-2,6-9,26H,3-5H2,(H,22,27)
InChIKeyIUZCYVWQJRVVNA-UHFFFAOYSA-N
XLogP2.59
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.77
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 25073395) is 6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCO)c1cnn2cc(Cc3ccc(Cl)c(OC(F)(F)F)c3)cnc12.
What is the InChIKey of 6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IUZCYVWQJRVVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O3/c18-13-2-1-10(6-14(13)28-17(19,20)21)5-11-7-23-15-12(8-24-25(15)9-11)16(27)22-3-4-26/h1-2,6-9,26H,3-5H2,(H,22,27).
What are the key properties of 6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 414.77 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 25073395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).