1H-pyrazol-5-yl carbamate

C4H5N3O2 — CID 22759494

IUPAC1H-pyrazol-5-yl carbamate
SMILESNC(=O)Oc1ccn[nH]1
InChIInChI=1S/C4H5N3O2/c5-4(8)9-3-1-2-6-7-3/h1-2H,(H2,5,8)(H,6,7)
InChIKeyLSHNYKWWYJXHSU-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.13
Rot. Bonds1

About 1H-pyrazol-5-yl carbamate

1H-pyrazol-5-yl carbamate (PubChem CID 22759494) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 1H-pyrazol-5-yl carbamate.

Molecular Properties

Compound Name1H-pyrazol-5-yl carbamate
PubChem CID22759494
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name1H-pyrazol-5-yl carbamate
SMILESNC(=O)Oc1ccn[nH]1
InChIInChI=1S/C4H5N3O2/c5-4(8)9-3-1-2-6-7-3/h1-2H,(H2,5,8)(H,6,7)
InChIKeyLSHNYKWWYJXHSU-UHFFFAOYSA-N
XLogP-0.13
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl carbamate?
The IUPAC name of 1H-pyrazol-5-yl carbamate (CID 22759494) is 1H-pyrazol-5-yl carbamate.
What is the SMILES notation for 1H-pyrazol-5-yl carbamate?
The canonical SMILES for 1H-pyrazol-5-yl carbamate is NC(=O)Oc1ccn[nH]1.
What is the InChIKey of 1H-pyrazol-5-yl carbamate?
The InChIKey is LSHNYKWWYJXHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-4(8)9-3-1-2-6-7-3/h1-2H,(H2,5,8)(H,6,7).
What are the key properties of 1H-pyrazol-5-yl carbamate?
1H-pyrazol-5-yl carbamate has a molecular weight of 127.10 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl carbamate is sourced from PubChem (CID 22759494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).