N-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H14F3N7O — CID 71526412

IUPACN-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccnn1)c1cnn2ccc(N3CCC(C(F)(F)F)C3)nc12
InChIInChI=1S/C16H14F3N7O/c17-16(18,19)10-3-6-25(9-10)13-4-7-26-14(23-13)11(8-21-26)15(27)22-12-2-1-5-20-24-12/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,24,27)
InChIKeyYMMWOHFTDPHIBR-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.16
Rot. Bonds3

About N-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 71526412) has the molecular formula C16H14F3N7O and a molecular weight of 377.33 g/mol. Its IUPAC name is N-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID71526412
Molecular FormulaC16H14F3N7O
Molecular Weight377.33 g/mol
Exact Mass377.12
IUPAC NameN-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccnn1)c1cnn2ccc(N3CCC(C(F)(F)F)C3)nc12
InChIInChI=1S/C16H14F3N7O/c17-16(18,19)10-3-6-25(9-10)13-4-7-26-14(23-13)11(8-21-26)15(27)22-12-2-1-5-20-24-12/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,24,27)
InChIKeyYMMWOHFTDPHIBR-UHFFFAOYSA-N
XLogP2.16
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71526498
5-[(3S,4S)-3-amino-4-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181676
5-[(3S)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516597
5-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516595
N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134386392
5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134386262
N-(2-bromophenyl)-5-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516623
5-(3-amino-4-fluoropiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145153112
5-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122542166
5-(4-methylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516638
5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride
CID 145153170
5-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516642

Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 71526412) is N-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cccnn1)c1cnn2ccc(N3CCC(C(F)(F)F)C3)nc12.
What is the InChIKey of N-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YMMWOHFTDPHIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N7O/c17-16(18,19)10-3-6-25(9-10)13-4-7-26-14(23-13)11(8-21-26)15(27)22-12-2-1-5-20-24-12/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,24,27).
What are the key properties of N-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71526412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).