N-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

C18H11F3N6O — CID 71525658

IUPACN-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(Nc1ccncn1)c1ccnc2cc(-c3cccc(C(F)(F)F)c3)nn12
InChIInChI=1S/C18H11F3N6O/c19-18(20,21)12-3-1-2-11(8-12)13-9-16-23-7-4-14(27(16)26-13)17(28)25-15-5-6-22-10-24-15/h1-10H,(H,22,24,25,28)
InChIKeyASBSJGAIFYSKOJ-UHFFFAOYSA-N
MW384.32 g/mol
LogP3.46
Rot. Bonds3

About N-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 71525658) has the molecular formula C18H11F3N6O and a molecular weight of 384.32 g/mol. Its IUPAC name is N-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID71525658
Molecular FormulaC18H11F3N6O
Molecular Weight384.32 g/mol
Exact Mass384.09
IUPAC NameN-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(Nc1ccncn1)c1ccnc2cc(-c3cccc(C(F)(F)F)c3)nn12
InChIInChI=1S/C18H11F3N6O/c19-18(20,21)12-3-1-2-11(8-12)13-9-16-23-7-4-14(27(16)26-13)17(28)25-15-5-6-22-10-24-15/h1-10H,(H,22,24,25,28)
InChIKeyASBSJGAIFYSKOJ-UHFFFAOYSA-N
XLogP3.46
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46883714
N-[3-[2-(3-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 46883539
(9S)-N-pyrimidin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide
CID 118968980
1-methyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]imidazole-4-carboxamide
CID 122147471
7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 58970141
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 16821306
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 71525570
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 91802666
N-[1-[(4S)-4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl]ethenyl]pyrimidin-4-amine
CID 118124820
N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide
CID 44554952
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 71525658) is N-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is O=C(Nc1ccncn1)c1ccnc2cc(-c3cccc(C(F)(F)F)c3)nn12.
What is the InChIKey of N-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is ASBSJGAIFYSKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N6O/c19-18(20,21)12-3-1-2-11(8-12)13-9-16-23-7-4-14(27(16)26-13)17(28)25-15-5-6-22-10-24-15/h1-10H,(H,22,24,25,28).
What are the key properties of N-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 384.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 71525658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).