2-(4-chloropyrazol-1-yl)ethylcarbamic acid

C6H8ClN3O2 — CID 118208505

IUPAC2-(4-chloropyrazol-1-yl)ethylcarbamic acid
SMILESO=C(O)NCCn1cc(Cl)cn1
InChIInChI=1S/C6H8ClN3O2/c7-5-3-9-10(4-5)2-1-8-6(11)12/h3-4,8H,1-2H2,(H,11,12)
InChIKeyHNDAQMYKPOOUML-UHFFFAOYSA-N
MW189.60 g/mol
LogP0.80
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)ethylcarbamic acid

2-(4-chloropyrazol-1-yl)ethylcarbamic acid (PubChem CID 118208505) has the molecular formula C6H8ClN3O2 and a molecular weight of 189.60 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)ethylcarbamic acid
PubChem CID118208505
Molecular FormulaC6H8ClN3O2
Molecular Weight189.60 g/mol
Exact Mass189.03
IUPAC Name2-(4-chloropyrazol-1-yl)ethylcarbamic acid
SMILESO=C(O)NCCn1cc(Cl)cn1
InChIInChI=1S/C6H8ClN3O2/c7-5-3-9-10(4-5)2-1-8-6(11)12/h3-4,8H,1-2H2,(H,11,12)
InChIKeyHNDAQMYKPOOUML-UHFFFAOYSA-N
XLogP0.80
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)ethylcarbamic acid?
The IUPAC name of 2-(4-chloropyrazol-1-yl)ethylcarbamic acid (CID 118208505) is 2-(4-chloropyrazol-1-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)ethylcarbamic acid?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)ethylcarbamic acid is O=C(O)NCCn1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)ethylcarbamic acid?
The InChIKey is HNDAQMYKPOOUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O2/c7-5-3-9-10(4-5)2-1-8-6(11)12/h3-4,8H,1-2H2,(H,11,12).
What are the key properties of 2-(4-chloropyrazol-1-yl)ethylcarbamic acid?
2-(4-chloropyrazol-1-yl)ethylcarbamic acid has a molecular weight of 189.60 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)ethylcarbamic acid is sourced from PubChem (CID 118208505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).