1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide

C17H19BrN4O2 — CID 35524429

IUPAC1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)CC1
InChIInChI=1S/C17H19BrN4O2/c18-15-9-20-22(11-15)10-12-1-3-14(4-2-12)17(24)21-7-5-13(6-8-21)16(19)23/h1-4,9,11,13H,5-8,10H2,(H2,19,23)
InChIKeyTXAURVXCQPQMNJ-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.03
Rot. Bonds4

About 1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide

1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide (PubChem CID 35524429) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide
PubChem CID35524429
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC Name1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)CC1
InChIInChI=1S/C17H19BrN4O2/c18-15-9-20-22(11-15)10-12-1-3-14(4-2-12)17(24)21-7-5-13(6-8-21)16(19)23/h1-4,9,11,13H,5-8,10H2,(H2,19,23)
InChIKeyTXAURVXCQPQMNJ-UHFFFAOYSA-N
XLogP2.03
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 45147653
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754507
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 35323460
4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide
CID 95756450
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide
CID 48981094
4-[(4-bromopyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 54909417
(4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone
CID 19290845
1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
CID 80948574
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 45147648
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681
[1-(1-benzylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475301

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide (CID 35524429) is 1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)CC1.
What is the InChIKey of 1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide?
The InChIKey is TXAURVXCQPQMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c18-15-9-20-22(11-15)10-12-1-3-14(4-2-12)17(24)21-7-5-13(6-8-21)16(19)23/h1-4,9,11,13H,5-8,10H2,(H2,19,23).
What are the key properties of 1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide?
1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 35524429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).