4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide

C10H14BrN3O — CID 903308

IUPAC4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)NC1CCCC1
InChIInChI=1S/C10H14BrN3O/c1-14-9(8(11)6-12-14)10(15)13-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,13,15)
InChIKeyVQTBXWJZDPHDMN-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.86
Rot. Bonds2

About 4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide

4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide (PubChem CID 903308) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide
PubChem CID903308
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)NC1CCCC1
InChIInChI=1S/C10H14BrN3O/c1-14-9(8(11)6-12-14)10(15)13-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,13,15)
InChIKeyVQTBXWJZDPHDMN-UHFFFAOYSA-N
XLogP1.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide (CID 903308) is 4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide is Cn1ncc(Br)c1C(=O)NC1CCCC1.
What is the InChIKey of 4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide?
The InChIKey is VQTBXWJZDPHDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-14-9(8(11)6-12-14)10(15)13-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,13,15).
What are the key properties of 4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide?
4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide has a molecular weight of 272.15 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopentyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 903308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).