(1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone

C10H14BrN3O — CID 114668649

IUPAC(1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
SMILESCn1ncc(Br)c1C(=O)C1(N)CCCC1
InChIInChI=1S/C10H14BrN3O/c1-14-8(7(11)6-13-14)9(15)10(12)4-2-3-5-10/h6H,2-5,12H2,1H3
InChIKeyGZWPHRWANBGTLW-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.64
Rot. Bonds2

About (1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone

(1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone (PubChem CID 114668649) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
PubChem CID114668649
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name(1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
SMILESCn1ncc(Br)c1C(=O)C1(N)CCCC1
InChIInChI=1S/C10H14BrN3O/c1-14-8(7(11)6-13-14)9(15)10(12)4-2-3-5-10/h6H,2-5,12H2,1H3
InChIKeyGZWPHRWANBGTLW-UHFFFAOYSA-N
XLogP1.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone (CID 114668649) is (1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone is Cn1ncc(Br)c1C(=O)C1(N)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
The InChIKey is GZWPHRWANBGTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-14-8(7(11)6-13-14)9(15)10(12)4-2-3-5-10/h6H,2-5,12H2,1H3.
What are the key properties of (1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
(1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone has a molecular weight of 272.15 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 114668649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).