1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide

C19H23BrN4O2 — CID 56560382

IUPAC1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1Br
InChIInChI=1S/C19H23BrN4O2/c1-12(2)16-15(20)17(23-22-16)19(26)24-10-8-13(9-11-24)18(25)21-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyYPVAGTIYIAWTTF-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.79
Rot. Bonds4

About 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide

1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 56560382) has the molecular formula C19H23BrN4O2 and a molecular weight of 419.32 g/mol. Its IUPAC name is 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide
PubChem CID56560382
Molecular FormulaC19H23BrN4O2
Molecular Weight419.32 g/mol
Exact Mass418.10
IUPAC Name1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1Br
InChIInChI=1S/C19H23BrN4O2/c1-12(2)16-15(20)17(23-22-16)19(26)24-10-8-13(9-11-24)18(25)21-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyYPVAGTIYIAWTTF-UHFFFAOYSA-N
XLogP3.79
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 56567520
1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 46490232
methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 16866419
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
1-(6-methylpyridine-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 32565194
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 17395338
1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 46492518

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide (CID 56560382) is 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide is CC(C)c1[nH]nc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1Br.
What is the InChIKey of 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is YPVAGTIYIAWTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O2/c1-12(2)16-15(20)17(23-22-16)19(26)24-10-8-13(9-11-24)18(25)21-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide?
1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 419.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 56560382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).