1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole

C19H16FN7 — CID 56700665

IUPAC1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESFc1ccc(Cn2ncc3c2CN(c2nnnn2-c2ccccc2)C3)cc1
InChIInChI=1S/C19H16FN7/c20-16-8-6-14(7-9-16)11-26-18-13-25(12-15(18)10-21-26)19-22-23-24-27(19)17-4-2-1-3-5-17/h1-10H,11-13H2
InChIKeyYJRJZAMDYANYIP-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.57
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole

1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 56700665) has the molecular formula C19H16FN7 and a molecular weight of 361.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID56700665
Molecular FormulaC19H16FN7
Molecular Weight361.38 g/mol
Exact Mass361.15
IUPAC Name1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESFc1ccc(Cn2ncc3c2CN(c2nnnn2-c2ccccc2)C3)cc1
InChIInChI=1S/C19H16FN7/c20-16-8-6-14(7-9-16)11-26-18-13-25(12-15(18)10-21-26)19-22-23-24-27(19)17-4-2-1-3-5-17/h1-10H,11-13H2
InChIKeyYJRJZAMDYANYIP-UHFFFAOYSA-N
XLogP2.57
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 56700665) is 1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole is Fc1ccc(Cn2ncc3c2CN(c2nnnn2-c2ccccc2)C3)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is YJRJZAMDYANYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7/c20-16-8-6-14(7-9-16)11-26-18-13-25(12-15(18)10-21-26)19-22-23-24-27(19)17-4-2-1-3-5-17/h1-10H,11-13H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 361.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-(1-phenyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 56700665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).