methyl(pyrazol-1-yl)carbamic acid

C5H7N3O2 — CID 54150805

IUPACmethyl(pyrazol-1-yl)carbamic acid
SMILESCN(C(=O)O)n1cccn1
InChIInChI=1S/C5H7N3O2/c1-7(5(9)10)8-4-2-3-6-8/h2-4H,1H3,(H,9,10)
InChIKeyOHPHSEMTUMQQST-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.13
Rot. Bonds1

About methyl(pyrazol-1-yl)carbamic acid

methyl(pyrazol-1-yl)carbamic acid (PubChem CID 54150805) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is methyl(pyrazol-1-yl)carbamic acid.

Molecular Properties

Compound Namemethyl(pyrazol-1-yl)carbamic acid
PubChem CID54150805
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Namemethyl(pyrazol-1-yl)carbamic acid
SMILESCN(C(=O)O)n1cccn1
InChIInChI=1S/C5H7N3O2/c1-7(5(9)10)8-4-2-3-6-8/h2-4H,1H3,(H,9,10)
InChIKeyOHPHSEMTUMQQST-UHFFFAOYSA-N
XLogP0.13
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl(pyrazol-1-yl)carbamic acid?
The IUPAC name of methyl(pyrazol-1-yl)carbamic acid (CID 54150805) is methyl(pyrazol-1-yl)carbamic acid.
What is the SMILES notation for methyl(pyrazol-1-yl)carbamic acid?
The canonical SMILES for methyl(pyrazol-1-yl)carbamic acid is CN(C(=O)O)n1cccn1.
What is the InChIKey of methyl(pyrazol-1-yl)carbamic acid?
The InChIKey is OHPHSEMTUMQQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-7(5(9)10)8-4-2-3-6-8/h2-4H,1H3,(H,9,10).
What are the key properties of methyl(pyrazol-1-yl)carbamic acid?
methyl(pyrazol-1-yl)carbamic acid has a molecular weight of 141.13 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(pyrazol-1-yl)carbamic acid is sourced from PubChem (CID 54150805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).