(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone

C8H7N3OS — CID 11550150

IUPAC(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone
SMILESNc1[nH]ncc1C(=O)c1cccs1
InChIInChI=1S/C8H7N3OS/c9-8-5(4-10-11-8)7(12)6-2-1-3-13-6/h1-4H,(H3,9,10,11)
InChIKeyDKSHGSCMEXOBRE-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.28
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone

(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone (PubChem CID 11550150) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone
PubChem CID11550150
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone
SMILESNc1[nH]ncc1C(=O)c1cccs1
InChIInChI=1S/C8H7N3OS/c9-8-5(4-10-11-8)7(12)6-2-1-3-13-6/h1-4H,(H3,9,10,11)
InChIKeyDKSHGSCMEXOBRE-UHFFFAOYSA-N
XLogP1.28
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-1H-pyrazol-4-yl)-(3-methylthiophen-2-yl)methanone
CID 79992375
(4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone
CID 135053389
5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 79487631
(5-amino-2-chlorophenyl)-thiophen-2-ylmethanone
CID 54011537
(2-amino-1,3-oxazol-5-yl)-thiophen-2-ylmethanone
CID 69356874
5-amino-1H-pyrazole-4-carbothioic S-acid
CID 117213718
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
CID 5082064
(5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone
CID 106644828
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
isoquinolin-8-yl(thiophen-2-yl)methanone
CID 103133963
phosphanyl 5-amino-1H-pyrazole-4-carboxylate
CID 90304947

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone (CID 11550150) is (5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone is Nc1[nH]ncc1C(=O)c1cccs1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone?
The InChIKey is DKSHGSCMEXOBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c9-8-5(4-10-11-8)7(12)6-2-1-3-13-6/h1-4H,(H3,9,10,11).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone?
(5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone has a molecular weight of 193.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 11550150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).