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

C12H13FN4O2 — CID 67498920

IUPAC[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid
SMILESCCc1nn(-c2cncc(F)c2)cc1N(C)C(=O)O
InChIInChI=1S/C12H13FN4O2/c1-3-10-11(16(2)12(18)19)7-17(15-10)9-4-8(13)5-14-6-9/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyUQSKCKPHJHLAAQ-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.08
Rot. Bonds3

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

[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid (PubChem CID 67498920) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is [3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid
PubChem CID67498920
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid
SMILESCCc1nn(-c2cncc(F)c2)cc1N(C)C(=O)O
InChIInChI=1S/C12H13FN4O2/c1-3-10-11(16(2)12(18)19)7-17(15-10)9-4-8(13)5-14-6-9/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyUQSKCKPHJHLAAQ-UHFFFAOYSA-N
XLogP2.08
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid?
The IUPAC name of [3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid (CID 67498920) is [3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid.
What is the SMILES notation for [3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid?
The canonical SMILES for [3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid is CCc1nn(-c2cncc(F)c2)cc1N(C)C(=O)O.
What is the InChIKey of [3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid?
The InChIKey is UQSKCKPHJHLAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-3-10-11(16(2)12(18)19)7-17(15-10)9-4-8(13)5-14-6-9/h4-7H,3H2,1-2H3,(H,18,19).
What are the key properties of [3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid?
[3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid has a molecular weight of 264.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid is sourced from PubChem (CID 67498920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).