(1-methylpyrazol-4-yl)-thiophen-3-ylmethanone

C9H8N2OS — CID 43463314

IUPAC(1-methylpyrazol-4-yl)-thiophen-3-ylmethanone
SMILESCn1cc(C(=O)c2ccsc2)cn1
InChIInChI=1S/C9H8N2OS/c1-11-5-8(4-10-11)9(12)7-2-3-13-6-7/h2-6H,1H3
InChIKeyAJXMXHFBOADIHO-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.71
Rot. Bonds2

About (1-methylpyrazol-4-yl)-thiophen-3-ylmethanone

(1-methylpyrazol-4-yl)-thiophen-3-ylmethanone (PubChem CID 43463314) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-thiophen-3-ylmethanone
PubChem CID43463314
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name(1-methylpyrazol-4-yl)-thiophen-3-ylmethanone
SMILESCn1cc(C(=O)c2ccsc2)cn1
InChIInChI=1S/C9H8N2OS/c1-11-5-8(4-10-11)9(12)7-2-3-13-6-7/h2-6H,1H3
InChIKeyAJXMXHFBOADIHO-UHFFFAOYSA-N
XLogP1.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone
CID 43463443
(1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone
CID 102830803
2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid
CID 113279490
(1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanone
CID 43463309
(3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
CID 43161643
(4-ethylsulfanylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 106847933
1-methylpyrazole-4-carboxylate
CID 6979031
1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methanone
CID 81153366
(3-fluoro-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 79704305
5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-carbaldehyde
CID 82389755
(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone
CID 105082299
(2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963914

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-thiophen-3-ylmethanone?
The IUPAC name of (1-methylpyrazol-4-yl)-thiophen-3-ylmethanone (CID 43463314) is (1-methylpyrazol-4-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-thiophen-3-ylmethanone is Cn1cc(C(=O)c2ccsc2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-thiophen-3-ylmethanone?
The InChIKey is AJXMXHFBOADIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-11-5-8(4-10-11)9(12)7-2-3-13-6-7/h2-6H,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-thiophen-3-ylmethanone?
(1-methylpyrazol-4-yl)-thiophen-3-ylmethanone has a molecular weight of 192.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 43463314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).