(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone

C14H20BrN3O2 — CID 47427180

IUPAC(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2n[nH]c(C3CC3)c2Br)C1
InChIInChI=1S/C14H20BrN3O2/c1-2-20-10-4-3-7-18(8-10)14(19)13-11(15)12(16-17-13)9-5-6-9/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyLDWJYXQPJFMUEI-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.69
Rot. Bonds4

About (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone

(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 47427180) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
PubChem CID47427180
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2n[nH]c(C3CC3)c2Br)C1
InChIInChI=1S/C14H20BrN3O2/c1-2-20-10-4-3-7-18(8-10)14(19)13-11(15)12(16-17-13)9-5-6-9/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyLDWJYXQPJFMUEI-UHFFFAOYSA-N
XLogP2.69
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 62076805
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 94199651
(5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47403831
ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 96538156
[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 71863575
(2R)-1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370448
(3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 47911164
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 62075422
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 103892247
[(3S)-3-ethoxypiperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95584023

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone (CID 47427180) is (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)c2n[nH]c(C3CC3)c2Br)C1.
What is the InChIKey of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is LDWJYXQPJFMUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-2-20-10-4-3-7-18(8-10)14(19)13-11(15)12(16-17-13)9-5-6-9/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone?
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 342.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 47427180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).