N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide

C17H22N4O2 — CID 19271179

IUPACN-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccn(COc3ccccc3)n2)CC1
InChIInChI=1S/C17H22N4O2/c1-20-10-7-14(8-11-20)18-17(22)16-9-12-21(19-16)13-23-15-5-3-2-4-6-15/h2-6,9,12,14H,7-8,10-11,13H2,1H3,(H,18,22)
InChIKeyPPFWFRHUBODVAE-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.74
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide

N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide (PubChem CID 19271179) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
PubChem CID19271179
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccn(COc3ccccc3)n2)CC1
InChIInChI=1S/C17H22N4O2/c1-20-10-7-14(8-11-20)18-17(22)16-9-12-21(19-16)13-23-15-5-3-2-4-6-15/h2-6,9,12,14H,7-8,10-11,13H2,1H3,(H,18,22)
InChIKeyPPFWFRHUBODVAE-UHFFFAOYSA-N
XLogP1.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 4774524
1-[(2-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 19277504
N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273362
1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 4865245
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273562
N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269078
1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide
CID 4774912
1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide
CID 19271346
1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide
CID 98273354
N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide
CID 78809424
N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4867173
N-(1-adamantyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581490

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide (CID 19271179) is N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide is CN1CCC(NC(=O)c2ccn(COc3ccccc3)n2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The InChIKey is PPFWFRHUBODVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-10-7-14(8-11-20)18-17(22)16-9-12-21(19-16)13-23-15-5-3-2-4-6-15/h2-6,9,12,14H,7-8,10-11,13H2,1H3,(H,18,22).
What are the key properties of N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19271179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).