N-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

C13H10F3N7O4 — CID 134262652

IUPACN-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1[nH]ncc1NC(=O)c1cnn2cccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C11H9N7O2.C2HF3O2/c12-9(19)8-7(5-14-17-8)16-11(20)6-4-15-18-3-1-2-13-10(6)18;3-2(4,5)1(6)7/h1-5H,(H2,12,19)(H,14,17)(H,16,20);(H,6,7)
InChIKeyBJQWHNLLYNSZOH-UHFFFAOYSA-N
MW385.26 g/mol
LogP0.44
Rot. Bonds3

About N-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

N-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 134262652) has the molecular formula C13H10F3N7O4 and a molecular weight of 385.26 g/mol. Its IUPAC name is N-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID134262652
Molecular FormulaC13H10F3N7O4
Molecular Weight385.26 g/mol
Exact Mass385.07
IUPAC NameN-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1[nH]ncc1NC(=O)c1cnn2cccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C11H9N7O2.C2HF3O2/c12-9(19)8-7(5-14-17-8)16-11(20)6-4-15-18-3-1-2-13-10(6)18;3-2(4,5)1(6)7/h1-5H,(H2,12,19)(H,14,17)(H,16,20);(H,6,7)
InChIKeyBJQWHNLLYNSZOH-UHFFFAOYSA-N
XLogP0.44
TPSA168.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 134262652) is N-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1[nH]ncc1NC(=O)c1cnn2cccnc12.O=C(O)C(F)(F)F.
What is the InChIKey of N-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BJQWHNLLYNSZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O2.C2HF3O2/c12-9(19)8-7(5-14-17-8)16-11(20)6-4-15-18-3-1-2-13-10(6)18;3-2(4,5)1(6)7/h1-5H,(H2,12,19)(H,14,17)(H,16,20);(H,6,7).
What are the key properties of N-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 385.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134262652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).