(3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate

C11H9F2N3O2 — CID 71273033

IUPAC(3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate
SMILESO=C(Nc1[nH]ncc1F)OCc1cccc(F)c1
InChIInChI=1S/C11H9F2N3O2/c12-8-3-1-2-7(4-8)6-18-11(17)15-10-9(13)5-14-16-10/h1-5H,6H2,(H2,14,15,16,17)
InChIKeyMQIQYNDUZXNWBJ-UHFFFAOYSA-N
MW253.21 g/mol
LogP2.44
Rot. Bonds3

About (3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate

(3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate (PubChem CID 71273033) has the molecular formula C11H9F2N3O2 and a molecular weight of 253.21 g/mol. Its IUPAC name is (3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate
PubChem CID71273033
Molecular FormulaC11H9F2N3O2
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name(3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate
SMILESO=C(Nc1[nH]ncc1F)OCc1cccc(F)c1
InChIInChI=1S/C11H9F2N3O2/c12-8-3-1-2-7(4-8)6-18-11(17)15-10-9(13)5-14-16-10/h1-5H,6H2,(H2,14,15,16,17)
InChIKeyMQIQYNDUZXNWBJ-UHFFFAOYSA-N
XLogP2.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate?
The IUPAC name of (3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate (CID 71273033) is (3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate.
What is the SMILES notation for (3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate?
The canonical SMILES for (3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate is O=C(Nc1[nH]ncc1F)OCc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate?
The InChIKey is MQIQYNDUZXNWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2/c12-8-3-1-2-7(4-8)6-18-11(17)15-10-9(13)5-14-16-10/h1-5H,6H2,(H2,14,15,16,17).
What are the key properties of (3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate?
(3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate has a molecular weight of 253.21 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate is sourced from PubChem (CID 71273033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).