N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C19H16F3N5O — CID 121484278

IUPACN-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccccc1)N1CCn2ncc(-c3cc(C(F)(F)F)ccn3)c2C1
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)13-6-7-23-16(10-13)15-11-24-27-9-8-26(12-17(15)27)18(28)25-14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H,25,28)
InChIKeyFHEOPPSIHBTZEQ-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.01
Rot. Bonds2

About N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484278) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484278
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC NameN-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccccc1)N1CCn2ncc(-c3cc(C(F)(F)F)ccn3)c2C1
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)13-6-7-23-16(10-13)15-11-24-27-9-8-26(12-17(15)27)18(28)25-14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H,25,28)
InChIKeyFHEOPPSIHBTZEQ-UHFFFAOYSA-N
XLogP4.01
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-2-pyridinyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483951
3-(3-bromophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483809
6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484097
N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484074
3-(4-fluorophenyl)-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484513
N-(3-chlorophenyl)-3-(2,3-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483950
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484269
N-(3-ethynyl-4-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484340
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493
1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 108781376
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023
N-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide
CID 11283270

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484278) is N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C(Nc1ccccc1)N1CCn2ncc(-c3cc(C(F)(F)F)ccn3)c2C1.
What is the InChIKey of N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is FHEOPPSIHBTZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c20-19(21,22)13-6-7-23-16(10-13)15-11-24-27-9-8-26(12-17(15)27)18(28)25-14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H,25,28).
What are the key properties of N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 387.37 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).