8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

C15H16FN7 — CID 118169458

IUPAC8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(c1ccn[nH]1)N1CCn2nnnc2C1c1ccc(F)cc1
InChIInChI=1S/C15H16FN7/c1-10(13-6-7-17-18-13)22-8-9-23-15(19-20-21-23)14(22)11-2-4-12(16)5-3-11/h2-7,10,14H,8-9H2,1H3,(H,17,18)
InChIKeyIHJWYFKVPGZLGJ-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.70
Rot. Bonds3

About 8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine

8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (PubChem CID 118169458) has the molecular formula C15H16FN7 and a molecular weight of 313.34 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
PubChem CID118169458
Molecular FormulaC15H16FN7
Molecular Weight313.34 g/mol
Exact Mass313.15
IUPAC Name8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
SMILESCC(c1ccn[nH]1)N1CCn2nnnc2C1c1ccc(F)cc1
InChIInChI=1S/C15H16FN7/c1-10(13-6-7-17-18-13)22-8-9-23-15(19-20-21-23)14(22)11-2-4-12(16)5-3-11/h2-7,10,14H,8-9H2,1H3,(H,17,18)
InChIKeyIHJWYFKVPGZLGJ-UHFFFAOYSA-N
XLogP1.70
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 138105936
CID 138105936
3-[(2-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 9836304
1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015484
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-6-amine
CID 155519760
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine
CID 155544983
5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818189
1-(1-(6-(1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)-6-fluoroindoline
CID 89613944
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
8-(2,5-difluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169523
US20230339900, Example 100
CID 162760835
US20230339900, Example 60
CID 162760930
1-[(2-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine
CID 44378975

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The IUPAC name of 8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine (CID 118169458) is 8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is CC(c1ccn[nH]1)N1CCn2nnnc2C1c1ccc(F)cc1.
What is the InChIKey of 8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
The InChIKey is IHJWYFKVPGZLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN7/c1-10(13-6-7-17-18-13)22-8-9-23-15(19-20-21-23)14(22)11-2-4-12(16)5-3-11/h2-7,10,14H,8-9H2,1H3,(H,17,18).
What are the key properties of 8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine?
8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine has a molecular weight of 313.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118169458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).