5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H10F3N5O — CID 155274104

IUPAC5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3ccccc3C(F)(F)F)c2n1
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)9-3-1-2-4-10(9)20-13(23)8-7-19-22-6-5-11(18)21-12(8)22/h1-7H,(H2,18,21)(H,20,23)
InChIKeyZEZLKQWDAIUSHO-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.58
Rot. Bonds2

About 5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155274104) has the molecular formula C14H10F3N5O and a molecular weight of 321.26 g/mol. Its IUPAC name is 5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155274104
Molecular FormulaC14H10F3N5O
Molecular Weight321.26 g/mol
Exact Mass321.08
IUPAC Name5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3ccccc3C(F)(F)F)c2n1
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)9-3-1-2-4-10(9)20-13(23)8-7-19-22-6-5-11(18)21-12(8)22/h1-7H,(H2,18,21)(H,20,23)
InChIKeyZEZLKQWDAIUSHO-UHFFFAOYSA-N
XLogP2.58
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66676727
5-amino-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145153105
5-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516595
5-amino-N-[5-(difluoromethyl)-1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162464968
1-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19496083
N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677737
7-(difluoromethyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416192
5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145153222
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 108793336
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
methyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]benzoate
CID 162464944

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155274104) is 5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1ccn2ncc(C(=O)Nc3ccccc3C(F)(F)F)c2n1.
What is the InChIKey of 5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZEZLKQWDAIUSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O/c15-14(16,17)9-3-1-2-4-10(9)20-13(23)8-7-19-22-6-5-11(18)21-12(8)22/h1-7H,(H2,18,21)(H,20,23).
What are the key properties of 5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 321.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155274104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).