(5-amino-1H-pyrazol-4-yl)-(2-methylthiophen-3-yl)methanone

C9H9N3OS — CID 102830815

IUPAC(5-amino-1H-pyrazol-4-yl)-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1cn[nH]c1N
InChIInChI=1S/C9H9N3OS/c1-5-6(2-3-14-5)8(13)7-4-11-12-9(7)10/h2-4H,1H3,(H3,10,11,12)
InChIKeyQKTXXJDJTXJGOM-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.59
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-(2-methylthiophen-3-yl)methanone

(5-amino-1H-pyrazol-4-yl)-(2-methylthiophen-3-yl)methanone (PubChem CID 102830815) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(2-methylthiophen-3-yl)methanone
PubChem CID102830815
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1cn[nH]c1N
InChIInChI=1S/C9H9N3OS/c1-5-6(2-3-14-5)8(13)7-4-11-12-9(7)10/h2-4H,1H3,(H3,10,11,12)
InChIKeyQKTXXJDJTXJGOM-UHFFFAOYSA-N
XLogP1.59
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(2-methylthiophen-3-yl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(2-methylthiophen-3-yl)methanone (CID 102830815) is (5-amino-1H-pyrazol-4-yl)-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(2-methylthiophen-3-yl)methanone is Cc1sccc1C(=O)c1cn[nH]c1N.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(2-methylthiophen-3-yl)methanone?
The InChIKey is QKTXXJDJTXJGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-5-6(2-3-14-5)8(13)7-4-11-12-9(7)10/h2-4H,1H3,(H3,10,11,12).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(2-methylthiophen-3-yl)methanone?
(5-amino-1H-pyrazol-4-yl)-(2-methylthiophen-3-yl)methanone has a molecular weight of 207.26 g/mol, XLogP of 1.59, 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)-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102830815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).