N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C17H21BrClFN4O — CID 120929772

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCN(Cc1cc(Br)ccc1F)C(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C17H20BrFN4O.ClH/c1-22(12-13-11-14(18)3-4-15(13)19)16(24)17(5-8-20-9-6-17)23-10-2-7-21-23;/h2-4,7,10-11,20H,5-6,8-9,12H2,1H3;1H
InChIKeySMWHBAIBIPPZJT-UHFFFAOYSA-N
MW431.74 g/mol
LogP2.94
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120929772) has the molecular formula C17H21BrClFN4O and a molecular weight of 431.74 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120929772
Molecular FormulaC17H21BrClFN4O
Molecular Weight431.74 g/mol
Exact Mass430.06
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCN(Cc1cc(Br)ccc1F)C(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C17H20BrFN4O.ClH/c1-22(12-13-11-14(18)3-4-15(13)19)16(24)17(5-8-20-9-6-17)23-10-2-7-21-23;/h2-4,7,10-11,20H,5-6,8-9,12H2,1H3;1H
InChIKeySMWHBAIBIPPZJT-UHFFFAOYSA-N
XLogP2.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918675
N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926302
N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918668
N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918265
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931021
N-(cyclopropylmethyl)-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926211
N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917135
N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide
CID 115171586
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925548
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937037
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930880
N-(2-fluoro-5-methylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917788

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120929772) is N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CN(Cc1cc(Br)ccc1F)C(=O)C1(n2cccn2)CCNCC1.Cl.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is SMWHBAIBIPPZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN4O.ClH/c1-22(12-13-11-14(18)3-4-15(13)19)16(24)17(5-8-20-9-6-17)23-10-2-7-21-23;/h2-4,7,10-11,20H,5-6,8-9,12H2,1H3;1H.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 431.74 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120929772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).