N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride

C16H21ClN4O — CID 68723933

IUPACN-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(-n2cccn2)cc1)C1CCNCC1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-19(14-7-10-17-11-8-14)16(21)13-3-5-15(6-4-13)20-12-2-9-18-20;/h2-6,9,12,14,17H,7-8,10-11H2,1H3;1H
InChIKeyWNBUOQVEXQZZDL-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.12
Rot. Bonds3

About N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride

N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride (PubChem CID 68723933) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride
PubChem CID68723933
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC NameN-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(-n2cccn2)cc1)C1CCNCC1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-19(14-7-10-17-11-8-14)16(21)13-3-5-15(6-4-13)20-12-2-9-18-20;/h2-6,9,12,14,17H,7-8,10-11H2,1H3;1H
InChIKeyWNBUOQVEXQZZDL-UHFFFAOYSA-N
XLogP2.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-piperidin-3-yl-4-pyrazol-1-ylbenzamide
CID 175264909
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 119824042
N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119441469
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 56682300
N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide
CID 154863649
N-methyl-1-phenyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 43602271
N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 68766913
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
CID 95862314
4-isocyano-N-methyl-N-piperidin-4-ylbenzamide
CID 140732667
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221
N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide
CID 119444660

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride?
The IUPAC name of N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride (CID 68723933) is N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride?
The canonical SMILES for N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride is CN(C(=O)c1ccc(-n2cccn2)cc1)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride?
The InChIKey is WNBUOQVEXQZZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c1-19(14-7-10-17-11-8-14)16(21)13-3-5-15(6-4-13)20-12-2-9-18-20;/h2-6,9,12,14,17H,7-8,10-11H2,1H3;1H.
What are the key properties of N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride?
N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride is sourced from PubChem (CID 68723933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).