N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide

C16H26N4O3 — CID 56730562

IUPACN-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(OCC(=O)N2CCCCC2)n(C)n1
InChIInChI=1S/C16H26N4O3/c1-4-12(2)17-16(22)13-10-15(19(3)18-13)23-11-14(21)20-8-6-5-7-9-20/h10,12H,4-9,11H2,1-3H3,(H,17,22)
InChIKeyXNBXWAJCTIGTIX-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.34
Rot. Bonds6

About N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide

N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide (PubChem CID 56730562) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide
PubChem CID56730562
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(OCC(=O)N2CCCCC2)n(C)n1
InChIInChI=1S/C16H26N4O3/c1-4-12(2)17-16(22)13-10-15(19(3)18-13)23-11-14(21)20-8-6-5-7-9-20/h10,12H,4-9,11H2,1-3H3,(H,17,22)
InChIKeyXNBXWAJCTIGTIX-UHFFFAOYSA-N
XLogP1.34
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone
CID 71687635
ethyl 3-(butan-2-ylcarbamoyl)-1-methylpyrazole-5-carboxylate
CID 19267074
N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267656
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide
CID 176998080
N-[(2R)-butan-2-yl]-1-methyl-5-(3-methyl-4-nitrophenoxy)pyrazole-3-carboxamide
CID 97046805
5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid
CID 11148327
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891
2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid
CID 119349055

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide (CID 56730562) is N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide is CCC(C)NC(=O)c1cc(OCC(=O)N2CCCCC2)n(C)n1.
What is the InChIKey of N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide?
The InChIKey is XNBXWAJCTIGTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-4-12(2)17-16(22)13-10-15(19(3)18-13)23-11-14(21)20-8-6-5-7-9-20/h10,12H,4-9,11H2,1-3H3,(H,17,22).
What are the key properties of N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide?
N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide is sourced from PubChem (CID 56730562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).