N-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C19H15ClF2N4O — CID 121484093

IUPACN-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)N1CCn2ncc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C19H15ClF2N4O/c20-16-6-5-14(9-17(16)22)24-19(27)25-7-8-26-18(11-25)15(10-23-26)12-1-3-13(21)4-2-12/h1-6,9-10H,7-8,11H2,(H,24,27)
InChIKeyUWSPYLMOQZKYNX-UHFFFAOYSA-N
MW388.81 g/mol
LogP4.53
Rot. Bonds2

About N-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

N-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484093) has the molecular formula C19H15ClF2N4O and a molecular weight of 388.81 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484093
Molecular FormulaC19H15ClF2N4O
Molecular Weight388.81 g/mol
Exact Mass388.09
IUPAC NameN-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)N1CCn2ncc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C19H15ClF2N4O/c20-16-6-5-14(9-17(16)22)24-19(27)25-7-8-26-18(11-25)15(10-23-26)12-1-3-13(21)4-2-12/h1-6,9-10H,7-8,11H2,(H,24,27)
InChIKeyUWSPYLMOQZKYNX-UHFFFAOYSA-N
XLogP4.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442766
6-cyclopropyl-3-(2-oxo-4-phenylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 151259440
6-cyclopropyl-3-(4-fluorophenyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 151334752
6-cyclopropyl-3-(2,4-difluorophenyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 152001053
6-chloro-4-[3-(2-methylpyrazol-3-yl)phenyl]-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
CID 49865359
N-[2-[3-(3-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155518263
N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155518732
N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155529309
N-[2-[3-(2-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155537511
N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155545623
N-[2-[3-(2,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155552451
N-[2-[3-(4-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484093) is N-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C(Nc1ccc(Cl)c(F)c1)N1CCn2ncc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is UWSPYLMOQZKYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N4O/c20-16-6-5-14(9-17(16)22)24-19(27)25-7-8-26-18(11-25)15(10-23-26)12-1-3-13(21)4-2-12/h1-6,9-10H,7-8,11H2,(H,24,27).
What are the key properties of N-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 388.81 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).