3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide

C9H10BrN3O — CID 155381262

IUPAC3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESNC(=O)C12CC(n3cc(Br)cn3)(C1)C2
InChIInChI=1S/C9H10BrN3O/c10-6-1-12-13(2-6)9-3-8(4-9,5-9)7(11)14/h1-2H,3-5H2,(H2,11,14)
InChIKeyBGGUKVZNRFRNNU-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.01
Rot. Bonds2

About 3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide

3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 155381262) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID155381262
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESNC(=O)C12CC(n3cc(Br)cn3)(C1)C2
InChIInChI=1S/C9H10BrN3O/c10-6-1-12-13(2-6)9-3-8(4-9,5-9)7(11)14/h1-2H,3-5H2,(H2,11,14)
InChIKeyBGGUKVZNRFRNNU-UHFFFAOYSA-N
XLogP1.01
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide (CID 155381262) is 3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide is NC(=O)C12CC(n3cc(Br)cn3)(C1)C2.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is BGGUKVZNRFRNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c10-6-1-12-13(2-6)9-3-8(4-9,5-9)7(11)14/h1-2H,3-5H2,(H2,11,14).
What are the key properties of 3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide?
3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 256.10 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 155381262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).