(5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone

C9H7BrN2OS — CID 1247468

IUPAC(5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C9H7BrN2OS/c1-6-4-11-12(5-6)9(13)7-2-3-8(10)14-7/h2-5H,1H3
InChIKeyPUGDJGPKOBKDIP-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.70
Rot. Bonds1

About (5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone

(5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone (PubChem CID 1247468) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone
PubChem CID1247468
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC Name(5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C9H7BrN2OS/c1-6-4-11-12(5-6)9(13)7-2-3-8(10)14-7/h2-5H,1H3
InChIKeyPUGDJGPKOBKDIP-UHFFFAOYSA-N
XLogP2.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone (CID 1247468) is (5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone is Cc1cnn(C(=O)c2ccc(Br)s2)c1.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone?
The InChIKey is PUGDJGPKOBKDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS/c1-6-4-11-12(5-6)9(13)7-2-3-8(10)14-7/h2-5H,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone?
(5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone has a molecular weight of 271.14 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4-methylpyrazol-1-yl)methanone is sourced from PubChem (CID 1247468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).