(4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C13H15BrN4O — CID 54878215

IUPAC(4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Br)c[nH]1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C13H15BrN4O/c14-10-6-12(15-7-10)13(19)18-5-1-2-9(8-18)11-3-4-16-17-11/h3-4,6-7,9,15H,1-2,5,8H2,(H,16,17)
InChIKeyBXVCNQZFBWLXPI-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.52
Rot. Bonds2

About (4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 54878215) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is (4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID54878215
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name(4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Br)c[nH]1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C13H15BrN4O/c14-10-6-12(15-7-10)13(19)18-5-1-2-9(8-18)11-3-4-16-17-11/h3-4,6-7,9,15H,1-2,5,8H2,(H,16,17)
InChIKeyBXVCNQZFBWLXPI-UHFFFAOYSA-N
XLogP2.52
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 104852380
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1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95189827
(2-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
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(3-amino-4-bromophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 61110136
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 155961930
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605887
1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide
CID 61129030
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 54878215) is (4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(c1cc(Br)c[nH]1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of (4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is BXVCNQZFBWLXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c14-10-6-12(15-7-10)13(19)18-5-1-2-9(8-18)11-3-4-16-17-11/h3-4,6-7,9,15H,1-2,5,8H2,(H,16,17).
What are the key properties of (4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 323.19 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 54878215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).