2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride

C20H21ClFN5O — CID 170327563

IUPAC2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride
SMILESCN(C)C(=O)C1CNCc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn21.Cl
InChIInChI=1S/C20H20FN5O.ClH/c1-25(2)20(27)17-12-23-11-16-18(13-7-9-22-10-8-13)19(24-26(16)17)14-3-5-15(21)6-4-14;/h3-10,17,23H,11-12H2,1-2H3;1H
InChIKeyMKTSFQZLWWYRCE-UHFFFAOYSA-N
MW401.87 g/mol
LogP2.91
Rot. Bonds3

About 2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride

2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride (PubChem CID 170327563) has the molecular formula C20H21ClFN5O and a molecular weight of 401.87 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride
PubChem CID170327563
Molecular FormulaC20H21ClFN5O
Molecular Weight401.87 g/mol
Exact Mass401.14
IUPAC Name2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride
SMILESCN(C)C(=O)C1CNCc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn21.Cl
InChIInChI=1S/C20H20FN5O.ClH/c1-25(2)20(27)17-12-23-11-16-18(13-7-9-22-10-8-13)19(24-26(16)17)14-3-5-15(21)6-4-14;/h3-10,17,23H,11-12H2,1-2H3;1H
InChIKeyMKTSFQZLWWYRCE-UHFFFAOYSA-N
XLogP2.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (7R)-7-(dimethylcarbamoyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 175952739
2-[5-[(E)-4-(dimethylamino)but-2-enoyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide
CID 170327573
2-[(7R)-5-[(E)-4-(dimethylamino)but-2-enoyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 175952583
tert-butyl 2-(4-fluorophenyl)-7-(hydroxymethyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 170568065
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18673983
1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]but-2-yn-1-one
CID 170327905
(E)-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-(methylamino)but-2-en-1-one
CID 170327404
2-(4-ethylphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327906
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-4-ylacetamide
CID 18674111
2-amino-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674150
N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide
CID 57467732
N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674047

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride (CID 170327563) is 2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride is CN(C)C(=O)C1CNCc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn21.Cl.
What is the InChIKey of 2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride?
The InChIKey is MKTSFQZLWWYRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O.ClH/c1-25(2)20(27)17-12-23-11-16-18(13-7-9-22-10-8-13)19(24-26(16)17)14-3-5-15(21)6-4-14;/h3-10,17,23H,11-12H2,1-2H3;1H.
What are the key properties of 2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride?
2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride has a molecular weight of 401.87 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-7-carboxamide;hydrochloride is sourced from PubChem (CID 170327563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).