N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride

C19H29Cl2N5O — CID 120942474

IUPACN-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCc1ccc(CN(C)C)cc1NC(=O)C1(n2cccn2)CCNCC1.Cl.Cl
InChIInChI=1S/C19H27N5O.2ClH/c1-15-5-6-16(14-23(2)3)13-17(15)22-18(25)19(7-10-20-11-8-19)24-12-4-9-21-24;;/h4-6,9,12-13,20H,7-8,10-11,14H2,1-3H3,(H,22,25);2*1H
InChIKeyOCBNIWSYBBXKMS-UHFFFAOYSA-N
MW414.38 g/mol
LogP2.81
Rot. Bonds5

About N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride

N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 120942474) has the molecular formula C19H29Cl2N5O and a molecular weight of 414.38 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
PubChem CID120942474
Molecular FormulaC19H29Cl2N5O
Molecular Weight414.38 g/mol
Exact Mass413.17
IUPAC NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCc1ccc(CN(C)C)cc1NC(=O)C1(n2cccn2)CCNCC1.Cl.Cl
InChIInChI=1S/C19H27N5O.2ClH/c1-15-5-6-16(14-23(2)3)13-17(15)22-18(25)19(7-10-20-11-8-19)24-12-4-9-21-24;;/h4-6,9,12-13,20H,7-8,10-11,14H2,1-3H3,(H,22,25);2*1H
InChIKeyOCBNIWSYBBXKMS-UHFFFAOYSA-N
XLogP2.81
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120916999
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-(2-fluoro-5-methylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917788
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120933669
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920388
N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120943007
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119895227
N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918668
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120937887

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (CID 120942474) is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is Cc1ccc(CN(C)C)cc1NC(=O)C1(n2cccn2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is OCBNIWSYBBXKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.2ClH/c1-15-5-6-16(14-23(2)3)13-17(15)22-18(25)19(7-10-20-11-8-19)24-12-4-9-21-24;;/h4-6,9,12-13,20H,7-8,10-11,14H2,1-3H3,(H,22,25);2*1H.
What are the key properties of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 414.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120942474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).