4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide

C22H22BrClN4O — CID 46438180

IUPAC4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C22H22BrClN4O/c23-18-13-25-28(15-18)21-7-3-17(4-8-21)22(29)26-20-9-11-27(12-10-20)14-16-1-5-19(24)6-2-16/h1-8,13,15,20H,9-12,14H2,(H,26,29)
InChIKeyBXZYXVRGWITKGD-UHFFFAOYSA-N
MW473.80 g/mol
LogP4.68
Rot. Bonds5

About 4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide

4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 46438180) has the molecular formula C22H22BrClN4O and a molecular weight of 473.80 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide
PubChem CID46438180
Molecular FormulaC22H22BrClN4O
Molecular Weight473.80 g/mol
Exact Mass472.07
IUPAC Name4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C22H22BrClN4O/c23-18-13-25-28(15-18)21-7-3-17(4-8-21)22(29)26-20-9-11-27(12-10-20)14-16-1-5-19(24)6-2-16/h1-8,13,15,20H,9-12,14H2,(H,26,29)
InChIKeyBXZYXVRGWITKGD-UHFFFAOYSA-N
XLogP4.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.80
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55845430
5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 8590020
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide
CID 47084312
5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide
CID 46587440
1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
CID 47242136
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24516184
3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 24964486
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46643597
4-[(E)-3-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 86968616
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide (CID 46438180) is 4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is BXZYXVRGWITKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrClN4O/c23-18-13-25-28(15-18)21-7-3-17(4-8-21)22(29)26-20-9-11-27(12-10-20)14-16-1-5-19(24)6-2-16/h1-8,13,15,20H,9-12,14H2,(H,26,29).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide?
4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 473.80 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46438180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).