1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one

C15H15FN6O2 — CID 140723831

IUPAC1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one
SMILESCn1nnn(-c2cc(F)cc(C3CC3)c2COc2ccn[nH]2)c1=O
InChIInChI=1S/C15H15FN6O2/c1-21-15(23)22(20-19-21)13-7-10(16)6-11(9-2-3-9)12(13)8-24-14-4-5-17-18-14/h4-7,9H,2-3,8H2,1H3,(H,17,18)
InChIKeyJGLJCFNIHPSGLB-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.28
Rot. Bonds5

About 1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one

1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one (PubChem CID 140723831) has the molecular formula C15H15FN6O2 and a molecular weight of 330.32 g/mol. Its IUPAC name is 1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one
PubChem CID140723831
Molecular FormulaC15H15FN6O2
Molecular Weight330.32 g/mol
Exact Mass330.12
IUPAC Name1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one
SMILESCn1nnn(-c2cc(F)cc(C3CC3)c2COc2ccn[nH]2)c1=O
InChIInChI=1S/C15H15FN6O2/c1-21-15(23)22(20-19-21)13-7-10(16)6-11(9-2-3-9)12(13)8-24-14-4-5-17-18-14/h4-7,9H,2-3,8H2,1H3,(H,17,18)
InChIKeyJGLJCFNIHPSGLB-UHFFFAOYSA-N
XLogP1.28
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one (CID 140723831) is 1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one is Cn1nnn(-c2cc(F)cc(C3CC3)c2COc2ccn[nH]2)c1=O.
What is the InChIKey of 1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one?
The InChIKey is JGLJCFNIHPSGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O2/c1-21-15(23)22(20-19-21)13-7-10(16)6-11(9-2-3-9)12(13)8-24-14-4-5-17-18-14/h4-7,9H,2-3,8H2,1H3,(H,17,18).
What are the key properties of 1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one?
1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one has a molecular weight of 330.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one is sourced from PubChem (CID 140723831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).