1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

C17H28N4O — CID 131901108

IUPAC1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCC(C)=CCN1CCC(CNC(=O)c2cnn(C)c2C)CC1
InChIInChI=1S/C17H28N4O/c1-13(2)5-8-21-9-6-15(7-10-21)11-18-17(22)16-12-19-20(4)14(16)3/h5,12,15H,6-11H2,1-4H3,(H,18,22)
InChIKeyKMFORBHFYWFOCB-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.14
Rot. Bonds5

About 1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 131901108) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID131901108
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCC(C)=CCN1CCC(CNC(=O)c2cnn(C)c2C)CC1
InChIInChI=1S/C17H28N4O/c1-13(2)5-8-21-9-6-15(7-10-21)11-18-17(22)16-12-19-20(4)14(16)3/h5,12,15H,6-11H2,1-4H3,(H,18,22)
InChIKeyKMFORBHFYWFOCB-UHFFFAOYSA-N
XLogP2.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-6-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739421
6-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 126739517
4-methyl-6-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739448
6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one
CID 126750647
4-methyl-2-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049046
1-(cyclohexylmethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817829
2-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049288
N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474450
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 47028290
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 131901108) is 1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is CC(C)=CCN1CCC(CNC(=O)c2cnn(C)c2C)CC1.
What is the InChIKey of 1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is KMFORBHFYWFOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13(2)5-8-21-9-6-15(7-10-21)11-18-17(22)16-12-19-20(4)14(16)3/h5,12,15H,6-11H2,1-4H3,(H,18,22).
What are the key properties of 1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 131901108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).