4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide

C19H25BrN4O — CID 55885078

IUPAC4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCc2ccccc2CN2CCCC(C)C2)c1Br
InChIInChI=1S/C19H25BrN4O/c1-13-6-5-9-24(11-13)12-16-8-4-3-7-15(16)10-21-19(25)18-17(20)14(2)22-23-18/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyZKMGRXFAHJKRQD-UHFFFAOYSA-N
MW405.34 g/mol
LogP3.64
Rot. Bonds5

About 4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide

4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 55885078) has the molecular formula C19H25BrN4O and a molecular weight of 405.34 g/mol. Its IUPAC name is 4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID55885078
Molecular FormulaC19H25BrN4O
Molecular Weight405.34 g/mol
Exact Mass404.12
IUPAC Name4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCc2ccccc2CN2CCCC(C)C2)c1Br
InChIInChI=1S/C19H25BrN4O/c1-13-6-5-9-24(11-13)12-16-8-4-3-7-15(16)10-21-19(25)18-17(20)14(2)22-23-18/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyZKMGRXFAHJKRQD-UHFFFAOYSA-N
XLogP3.64
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55885338
4-acetyl-3,5-dimethyl-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 51949843
4-bromo-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565345
4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
CID 60556119
2,4-dimethyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55714039
N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 51947396
3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119845555
2-ethylsulfonyl-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 52610752
2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide
CID 55718125
2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947424
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
1-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845563

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide (CID 55885078) is 4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCc2ccccc2CN2CCCC(C)C2)c1Br.
What is the InChIKey of 4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZKMGRXFAHJKRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O/c1-13-6-5-9-24(11-13)12-16-8-4-3-7-15(16)10-21-19(25)18-17(20)14(2)22-23-18/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide?
4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 405.34 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55885078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).