7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C18H16F3N5O2 — CID 42642175

IUPAC7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1C(F)(F)F)c1cnc2cc[nH]n2c1=O
InChIInChI=1S/C18H16F3N5O2/c19-18(20,21)13-9-11(25-7-1-2-8-25)3-4-14(13)24-16(27)12-10-22-15-5-6-23-26(15)17(12)28/h3-6,9-10,23H,1-2,7-8H2,(H,24,27)
InChIKeyVTXXAXZZHQHHDC-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.89
Rot. Bonds3

About 7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 42642175) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID42642175
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1C(F)(F)F)c1cnc2cc[nH]n2c1=O
InChIInChI=1S/C18H16F3N5O2/c19-18(20,21)13-9-11(25-7-1-2-8-25)3-4-14(13)24-16(27)12-10-22-15-5-6-23-26(15)17(12)28/h3-6,9-10,23H,1-2,7-8H2,(H,24,27)
InChIKeyVTXXAXZZHQHHDC-UHFFFAOYSA-N
XLogP2.89
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 42642175) is 7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1C(F)(F)F)c1cnc2cc[nH]n2c1=O.
What is the InChIKey of 7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is VTXXAXZZHQHHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c19-18(20,21)13-9-11(25-7-1-2-8-25)3-4-14(13)24-16(27)12-10-22-15-5-6-23-26(15)17(12)28/h3-6,9-10,23H,1-2,7-8H2,(H,24,27).
What are the key properties of 7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42642175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).