[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid

C12H11FN4O2 — CID 67499761

IUPAC[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid
SMILESC=Cc1nn(-c2cncc(F)c2)cc1N(C)C(=O)O
InChIInChI=1S/C12H11FN4O2/c1-3-10-11(16(2)12(18)19)7-17(15-10)9-4-8(13)5-14-6-9/h3-7H,1H2,2H3,(H,18,19)
InChIKeyCKCXBCQRKPAOSW-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.16
Rot. Bonds3

About [3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid

[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid (PubChem CID 67499761) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is [3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid
PubChem CID67499761
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid
SMILESC=Cc1nn(-c2cncc(F)c2)cc1N(C)C(=O)O
InChIInChI=1S/C12H11FN4O2/c1-3-10-11(16(2)12(18)19)7-17(15-10)9-4-8(13)5-14-6-9/h3-7H,1H2,2H3,(H,18,19)
InChIKeyCKCXBCQRKPAOSW-UHFFFAOYSA-N
XLogP2.16
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid?
The IUPAC name of [3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid (CID 67499761) is [3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid.
What is the SMILES notation for [3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid?
The canonical SMILES for [3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid is C=Cc1nn(-c2cncc(F)c2)cc1N(C)C(=O)O.
What is the InChIKey of [3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid?
The InChIKey is CKCXBCQRKPAOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c1-3-10-11(16(2)12(18)19)7-17(15-10)9-4-8(13)5-14-6-9/h3-7H,1H2,2H3,(H,18,19).
What are the key properties of [3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid?
[3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid has a molecular weight of 262.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid is sourced from PubChem (CID 67499761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).