N-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide

C19H27BrN4O2 — CID 118747462

IUPACN-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide
SMILESBr.Cc1ccccc1OC1CCN(CC(=O)Nc2cnn(C)c2C)CC1
InChIInChI=1S/C19H26N4O2.BrH/c1-14-6-4-5-7-18(14)25-16-8-10-23(11-9-16)13-19(24)21-17-12-20-22(3)15(17)2;/h4-7,12,16H,8-11,13H2,1-3H3,(H,21,24);1H
InChIKeyQZTMJKFMDXJQPO-UHFFFAOYSA-N
MW423.36 g/mol
LogP3.10
Rot. Bonds5

About N-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide

N-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide (PubChem CID 118747462) has the molecular formula C19H27BrN4O2 and a molecular weight of 423.36 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide
PubChem CID118747462
Molecular FormulaC19H27BrN4O2
Molecular Weight423.36 g/mol
Exact Mass422.13
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide
SMILESBr.Cc1ccccc1OC1CCN(CC(=O)Nc2cnn(C)c2C)CC1
InChIInChI=1S/C19H26N4O2.BrH/c1-14-6-4-5-7-18(14)25-16-8-10-23(11-9-16)13-19(24)21-17-12-20-22(3)15(17)2;/h4-7,12,16H,8-11,13H2,1-3H3,(H,21,24);1H
InChIKeyQZTMJKFMDXJQPO-UHFFFAOYSA-N
XLogP3.10
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486657
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CID 3662930
1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-phenylurea
CID 45486737
N-(1-((methyl(2-(4-methylphenoxy)ethyl)carbamoyl)methyl)-1H-pyrazol-4-yl)-3-phenoxypropanamide
CID 26357859
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide
CID 5307988
Ethyl 4-(2-{1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetyl)piperazine-1-carboxylate
CID 5308791
2-{8-Methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}-N-phenyl-N-(prop-2-EN-1-YL)acetamide
CID 9550937
2-{1H,4H-Chromeno[4,3-C]pyrazol-1-YL}-1-[4-(2-fluorophenyl)piperazin-1-YL]ethan-1-one
CID 16010667
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-[1-(4-ethoxybenzyl)-3-oxo-2-piperazinyl]acetamide
CID 24817666
1-(2-ethoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24819456
2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155517652
2-[[2-(4-ethylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155522148

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide (CID 118747462) is N-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide is Br.Cc1ccccc1OC1CCN(CC(=O)Nc2cnn(C)c2C)CC1.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide?
The InChIKey is QZTMJKFMDXJQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.BrH/c1-14-6-4-5-7-18(14)25-16-8-10-23(11-9-16)13-19(24)21-17-12-20-22(3)15(17)2;/h4-7,12,16H,8-11,13H2,1-3H3,(H,21,24);1H.
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide?
N-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide has a molecular weight of 423.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide;hydrobromide is sourced from PubChem (CID 118747462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).