(5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid

C11H11FN4O2 — CID 67499608

IUPAC(5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid
SMILESCc1nn(-c2cccnc2)c(F)c1N(C)C(=O)O
InChIInChI=1S/C11H11FN4O2/c1-7-9(15(2)11(17)18)10(12)16(14-7)8-4-3-5-13-6-8/h3-6H,1-2H3,(H,17,18)
InChIKeyLCCDDHKZOXTDNB-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.83
Rot. Bonds2

About (5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid

(5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid (PubChem CID 67499608) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is (5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid
PubChem CID67499608
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name(5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid
SMILESCc1nn(-c2cccnc2)c(F)c1N(C)C(=O)O
InChIInChI=1S/C11H11FN4O2/c1-7-9(15(2)11(17)18)10(12)16(14-7)8-4-3-5-13-6-8/h3-6H,1-2H3,(H,17,18)
InChIKeyLCCDDHKZOXTDNB-UHFFFAOYSA-N
XLogP1.83
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid?
The IUPAC name of (5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid (CID 67499608) is (5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid.
What is the SMILES notation for (5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid?
The canonical SMILES for (5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid is Cc1nn(-c2cccnc2)c(F)c1N(C)C(=O)O.
What is the InChIKey of (5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid?
The InChIKey is LCCDDHKZOXTDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-7-9(15(2)11(17)18)10(12)16(14-7)8-4-3-5-13-6-8/h3-6H,1-2H3,(H,17,18).
What are the key properties of (5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid?
(5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid has a molecular weight of 250.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid is sourced from PubChem (CID 67499608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).