5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide

C15H18BrN3O2S — CID 71702274

IUPAC5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2cc(-c3ccc(Br)s3)[nH]n2)CCO1
InChIInChI=1S/C15H18BrN3O2S/c1-15(2)8-9(5-6-21-15)17-14(20)11-7-10(18-19-11)12-3-4-13(16)22-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyDFLBVUXAPXIYAZ-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.59
Rot. Bonds3

About 5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide

5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide (PubChem CID 71702274) has the molecular formula C15H18BrN3O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide
PubChem CID71702274
Molecular FormulaC15H18BrN3O2S
Molecular Weight384.30 g/mol
Exact Mass383.03
IUPAC Name5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2cc(-c3ccc(Br)s3)[nH]n2)CCO1
InChIInChI=1S/C15H18BrN3O2S/c1-15(2)8-9(5-6-21-15)17-14(20)11-7-10(18-19-11)12-3-4-13(16)22-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyDFLBVUXAPXIYAZ-UHFFFAOYSA-N
XLogP3.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide (CID 71702274) is 5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide is CC1(C)CC(NC(=O)c2cc(-c3ccc(Br)s3)[nH]n2)CCO1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is DFLBVUXAPXIYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2S/c1-15(2)8-9(5-6-21-15)17-14(20)11-7-10(18-19-11)12-3-4-13(16)22-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide?
5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 384.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71702274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).