1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide

C22H30N4O2 — CID 33024736

IUPAC1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C22H30N4O2/c1-15(2)22(28)25-12-10-19(11-13-25)23-21(27)20-16(3)24-26(17(20)4)14-18-8-6-5-7-9-18/h5-9,15,19H,10-14H2,1-4H3,(H,23,27)
InChIKeyXZRHBAMYKAFODF-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.93
Rot. Bonds5

About 1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide

1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 33024736) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID33024736
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C22H30N4O2/c1-15(2)22(28)25-12-10-19(11-13-25)23-21(27)20-16(3)24-26(17(20)4)14-18-8-6-5-7-9-18/h5-9,15,19H,10-14H2,1-4H3,(H,23,27)
InChIKeyXZRHBAMYKAFODF-UHFFFAOYSA-N
XLogP2.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide
CID 30768138
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
2-benzyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542896
1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 32541107
1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 2505985
1-benzyl-3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 4879142
1-benzyl-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 41198027
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 47007794
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
CID 56810648
1-benzyl-3,5-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 46612646
N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455345
1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 86941094

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide (CID 33024736) is 1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is XZRHBAMYKAFODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15(2)22(28)25-12-10-19(11-13-25)23-21(27)20-16(3)24-26(17(20)4)14-18-8-6-5-7-9-18/h5-9,15,19H,10-14H2,1-4H3,(H,23,27).
What are the key properties of 1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide?
1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 33024736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).