3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide

C17H23BrN6O2 — CID 19338675

IUPAC3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
SMILESCc1c(Br)cnn1CCC(=O)Nc1cnn(C)c1C(=O)N1CCCCC1
InChIInChI=1S/C17H23BrN6O2/c1-12-13(18)10-20-24(12)9-6-15(25)21-14-11-19-22(2)16(14)17(26)23-7-4-3-5-8-23/h10-11H,3-9H2,1-2H3,(H,21,25)
InChIKeyNPZOTTFMGUEKLJ-UHFFFAOYSA-N
MW423.32 g/mol
LogP2.34
Rot. Bonds5

About 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide

3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide (PubChem CID 19338675) has the molecular formula C17H23BrN6O2 and a molecular weight of 423.32 g/mol. Its IUPAC name is 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
PubChem CID19338675
Molecular FormulaC17H23BrN6O2
Molecular Weight423.32 g/mol
Exact Mass422.11
IUPAC Name3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
SMILESCc1c(Br)cnn1CCC(=O)Nc1cnn(C)c1C(=O)N1CCCCC1
InChIInChI=1S/C17H23BrN6O2/c1-12-13(18)10-20-24(12)9-6-15(25)21-14-11-19-22(2)16(14)17(26)23-7-4-3-5-8-23/h10-11H,3-9H2,1-2H3,(H,21,25)
InChIKeyNPZOTTFMGUEKLJ-UHFFFAOYSA-N
XLogP2.34
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chloropyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
CID 19338683
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide
CID 19337042
6-(1,3-dioxoisoindol-2-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]hexanamide
CID 19337046
3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 19570193
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide
CID 17022862
N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19570101
1-methyl-4-[3-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxylic acid
CID 19406107
3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19336985
1-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]thiourea
CID 19445725
3-methoxy-2-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19338744
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
CID 19412305
3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19337047

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide (CID 19338675) is 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide is Cc1c(Br)cnn1CCC(=O)Nc1cnn(C)c1C(=O)N1CCCCC1.
What is the InChIKey of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide?
The InChIKey is NPZOTTFMGUEKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN6O2/c1-12-13(18)10-20-24(12)9-6-15(25)21-14-11-19-22(2)16(14)17(26)23-7-4-3-5-8-23/h10-11H,3-9H2,1-2H3,(H,21,25).
What are the key properties of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide?
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide has a molecular weight of 423.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 19338675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).