1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide

C17H28N4O2 — CID 128995752

IUPAC1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2cn(C)nc2C2CCOC2)CC1
InChIInChI=1S/C17H28N4O2/c1-3-7-21-8-4-14(5-9-21)18-17(22)15-11-20(2)19-16(15)13-6-10-23-12-13/h11,13-14H,3-10,12H2,1-2H3,(H,18,22)
InChIKeyWWUYPKGBMIXEFL-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.53
Rot. Bonds5

About 1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide

1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 128995752) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID128995752
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2cn(C)nc2C2CCOC2)CC1
InChIInChI=1S/C17H28N4O2/c1-3-7-21-8-4-14(5-9-21)18-17(22)15-11-20(2)19-16(15)13-6-10-23-12-13/h11,13-14H,3-10,12H2,1-2H3,(H,18,22)
InChIKeyWWUYPKGBMIXEFL-UHFFFAOYSA-N
XLogP1.53
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473435
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473437
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129477481
N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 136538400
N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 128992476
N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide
CID 133383535
1-methyl-3-[(3R)-oxolan-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 129472548
N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129341540
3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide
CID 129347326
1-methyl-3-(oxolan-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
CID 128965565
1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide
CID 129471970
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide (CID 128995752) is 1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide is CCCN1CCC(NC(=O)c2cn(C)nc2C2CCOC2)CC1.
What is the InChIKey of 1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is WWUYPKGBMIXEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-7-21-8-4-14(5-9-21)18-17(22)15-11-20(2)19-16(15)13-6-10-23-12-13/h11,13-14H,3-10,12H2,1-2H3,(H,18,22).
What are the key properties of 1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide?
1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 128995752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).