(3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid

C8H8N4O2S — CID 71133914

IUPAC(3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid
SMILESNc1nn(-c2ccsc2)cc1NC(=O)O
InChIInChI=1S/C8H8N4O2S/c9-7-6(10-8(13)14)3-12(11-7)5-1-2-15-4-5/h1-4,10H,(H2,9,11)(H,13,14)
InChIKeyBUGPWKCZYKIYQR-UHFFFAOYSA-N
MW224.25 g/mol
LogP1.61
Rot. Bonds2

About (3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid

(3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid (PubChem CID 71133914) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is (3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid.

Molecular Properties

Compound Name(3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid
PubChem CID71133914
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Name(3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid
SMILESNc1nn(-c2ccsc2)cc1NC(=O)O
InChIInChI=1S/C8H8N4O2S/c9-7-6(10-8(13)14)3-12(11-7)5-1-2-15-4-5/h1-4,10H,(H2,9,11)(H,13,14)
InChIKeyBUGPWKCZYKIYQR-UHFFFAOYSA-N
XLogP1.61
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid?
The IUPAC name of (3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid (CID 71133914) is (3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid.
What is the SMILES notation for (3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid?
The canonical SMILES for (3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid is Nc1nn(-c2ccsc2)cc1NC(=O)O.
What is the InChIKey of (3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid?
The InChIKey is BUGPWKCZYKIYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c9-7-6(10-8(13)14)3-12(11-7)5-1-2-15-4-5/h1-4,10H,(H2,9,11)(H,13,14).
What are the key properties of (3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid?
(3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid has a molecular weight of 224.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid is sourced from PubChem (CID 71133914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).