7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

C23H23F2N7 — CID 118169502

IUPAC7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1cccc(F)c1F
InChIInChI=1S/C23H23F2N7/c1-15(2)21-18(14-32(27-21)17-8-4-3-5-9-17)22-23-26-28-29-31(23)12-11-30(22)13-16-7-6-10-19(24)20(16)25/h3-10,14-15,22H,11-13H2,1-2H3
InChIKeyUQVYSUYJAWIKHY-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.87
Rot. Bonds5

About 7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169502) has the molecular formula C23H23F2N7 and a molecular weight of 435.48 g/mol. Its IUPAC name is 7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169502
Molecular FormulaC23H23F2N7
Molecular Weight435.48 g/mol
Exact Mass435.20
IUPAC Name7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1cccc(F)c1F
InChIInChI=1S/C23H23F2N7/c1-15(2)21-18(14-32(27-21)17-8-4-3-5-9-17)22-23-26-28-29-31(23)12-11-30(22)13-16-7-6-10-19(24)20(16)25/h3-10,14-15,22H,11-13H2,1-2H3
InChIKeyUQVYSUYJAWIKHY-UHFFFAOYSA-N
XLogP3.87
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Adipiplon
CID 11198924
(R)-Zinc-3573
CID 95882507
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204
US10399985, Example 17
CID 118278237
(1S,2R,5S)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)cyclohexan-1-amine
CID 68658979
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 156138327
(S)-Zinc-5373
CID 95882508
US10399985, Example 16
CID 118278207
Imidazo triazine derivative 1
CID 68182028

Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169502) is 7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is CC(C)c1nn(-c2ccccc2)cc1C1c2nnnn2CCN1Cc1cccc(F)c1F.
What is the InChIKey of 7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is UQVYSUYJAWIKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7/c1-15(2)21-18(14-32(27-21)17-8-4-3-5-9-17)22-23-26-28-29-31(23)12-11-30(22)13-16-7-6-10-19(24)20(16)25/h3-10,14-15,22H,11-13H2,1-2H3.
What are the key properties of 7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 435.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).