pyrazol-1-yl carbamate

C4H5N3O2 — CID 22736347

IUPACpyrazol-1-yl carbamate
SMILESNC(=O)On1cccn1
InChIInChI=1S/C4H5N3O2/c5-4(8)9-7-3-1-2-6-7/h1-3H,(H2,5,8)
InChIKeyYPTMRCPHKCFGOK-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.61
Rot. Bonds1

About pyrazol-1-yl carbamate

pyrazol-1-yl carbamate (PubChem CID 22736347) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is pyrazol-1-yl carbamate.

Molecular Properties

Compound Namepyrazol-1-yl carbamate
PubChem CID22736347
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Namepyrazol-1-yl carbamate
SMILESNC(=O)On1cccn1
InChIInChI=1S/C4H5N3O2/c5-4(8)9-7-3-1-2-6-7/h1-3H,(H2,5,8)
InChIKeyYPTMRCPHKCFGOK-UHFFFAOYSA-N
XLogP-0.61
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazol-1-yl carbamate?
The IUPAC name of pyrazol-1-yl carbamate (CID 22736347) is pyrazol-1-yl carbamate.
What is the SMILES notation for pyrazol-1-yl carbamate?
The canonical SMILES for pyrazol-1-yl carbamate is NC(=O)On1cccn1.
What is the InChIKey of pyrazol-1-yl carbamate?
The InChIKey is YPTMRCPHKCFGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-4(8)9-7-3-1-2-6-7/h1-3H,(H2,5,8).
What are the key properties of pyrazol-1-yl carbamate?
pyrazol-1-yl carbamate has a molecular weight of 127.10 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-yl carbamate is sourced from PubChem (CID 22736347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).