(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone

C16H19BrN4O — CID 119493767

IUPAC(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C1
InChIInChI=1S/C16H19BrN4O/c1-18-12-8-5-9-21(10-12)16(22)15-13(17)14(19-20-15)11-6-3-2-4-7-11/h2-4,6-7,12,18H,5,8-10H2,1H3,(H,19,20)
InChIKeyUYEGCXYTBAPJPH-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.66
Rot. Bonds3

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

(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119493767) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119493767
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C1
InChIInChI=1S/C16H19BrN4O/c1-18-12-8-5-9-21(10-12)16(22)15-13(17)14(19-20-15)11-6-3-2-4-7-11/h2-4,6-7,12,18H,5,8-10H2,1H3,(H,19,20)
InChIKeyUYEGCXYTBAPJPH-UHFFFAOYSA-N
XLogP2.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398900
(4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride
CID 119376856
(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119652153
1-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118485
(2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124610763
[3-(methylamino)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119490331
3-[3-(methylamino)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119491224
(4-bromo-3-phenyl-1H-pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119473594
[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119493804
3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one
CID 124575581
[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080160
(3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491533

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone (CID 119493767) is (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C1.
What is the InChIKey of (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is UYEGCXYTBAPJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-18-12-8-5-9-21(10-12)16(22)15-13(17)14(19-20-15)11-6-3-2-4-7-11/h2-4,6-7,12,18H,5,8-10H2,1H3,(H,19,20).
What are the key properties of (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone?
(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 363.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119493767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).