[2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid

C6H8FN3O2 — CID 130424129

IUPAC[2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid
SMILESO=C(O)Nc1ccnn1CCF
InChIInChI=1S/C6H8FN3O2/c7-2-4-10-5(1-3-8-10)9-6(11)12/h1,3,9H,2,4H2,(H,11,12)
InChIKeyLSYMUBIJXOKNFB-UHFFFAOYSA-N
MW173.15 g/mol
LogP0.94
Rot. Bonds3

About [2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid

[2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid (PubChem CID 130424129) has the molecular formula C6H8FN3O2 and a molecular weight of 173.15 g/mol. Its IUPAC name is [2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid.

Molecular Properties

Compound Name[2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid
PubChem CID130424129
Molecular FormulaC6H8FN3O2
Molecular Weight173.15 g/mol
Exact Mass173.06
IUPAC Name[2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid
SMILESO=C(O)Nc1ccnn1CCF
InChIInChI=1S/C6H8FN3O2/c7-2-4-10-5(1-3-8-10)9-6(11)12/h1,3,9H,2,4H2,(H,11,12)
InChIKeyLSYMUBIJXOKNFB-UHFFFAOYSA-N
XLogP0.94
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoroethyl)-1H-pyrazol-5-amine
CID 21904553
N-(1-ethyl-1H-pyrazol-3-yl)acetamide
CID 68075151
(E)-4-[(2-methylpyrazol-3-yl)amino]-4-oxobut-2-enoic acid
CID 5714460
N-(1-Ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
CID 57698727
2-Ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 68726135
2,2,2-trifluoro-N-(1-methyl-1H-pyrazol-5-yl)acetamide
CID 75480930
[1-(2-fluoroethyl)-1H-pyrazol-5-yl]formamide
CID 85666041
N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide
CID 89187445
[1-(5,5-Difluorohexyl)pyrazol-3-yl]carbamic acid
CID 91197320
tert-butyl N-[2-(difluoromethyl)pyrazol-3-yl]carbamate
CID 121439709
[2-(Difluoromethyl)pyrazol-3-yl]carbamic acid
CID 130424109
tert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate
CID 130444387

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid?
The IUPAC name of [2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid (CID 130424129) is [2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid.
What is the SMILES notation for [2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid?
The canonical SMILES for [2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid is O=C(O)Nc1ccnn1CCF.
What is the InChIKey of [2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid?
The InChIKey is LSYMUBIJXOKNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2/c7-2-4-10-5(1-3-8-10)9-6(11)12/h1,3,9H,2,4H2,(H,11,12).
What are the key properties of [2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid?
[2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid has a molecular weight of 173.15 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroethyl)pyrazol-3-yl]carbamic acid is sourced from PubChem (CID 130424129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).