2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one

C17H26N4O2 — CID 70720146

IUPAC2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCC(C(=O)N2CCCC2)CC1)n1cccn1
InChIInChI=1S/C17H26N4O2/c1-2-15(21-11-5-8-18-21)17(23)20-12-6-14(7-13-20)16(22)19-9-3-4-10-19/h5,8,11,14-15H,2-4,6-7,9-10,12-13H2,1H3
InChIKeyFWGXHSLWELXFQZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.70
Rot. Bonds4

About 2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one

2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 70720146) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID70720146
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCC(C(=O)N2CCCC2)CC1)n1cccn1
InChIInChI=1S/C17H26N4O2/c1-2-15(21-11-5-8-18-21)17(23)20-12-6-14(7-13-20)16(22)19-9-3-4-10-19/h5,8,11,14-15H,2-4,6-7,9-10,12-13H2,1H3
InChIKeyFWGXHSLWELXFQZ-UHFFFAOYSA-N
XLogP1.70
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one 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-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16187737
1-(cyclohexylmethyl)-N-ethyl-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 24790120
1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 51098378
N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 51098380
N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 51098382
N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-4-carboxamide
CID 51098383
1-[4-(Diethylaminomethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 53519876
N-methyl-1-(3-pyrazol-1-ylpropanoyl)piperidine-4-carboxamide
CID 53526482
N-(1-ethylpiperidin-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 53556864
2-Methyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 53557445
1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 53574326
N-(1-ethylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53590070

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one (CID 70720146) is 2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one is CCC(C(=O)N1CCC(C(=O)N2CCCC2)CC1)n1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is FWGXHSLWELXFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-15(21-11-5-8-18-21)17(23)20-12-6-14(7-13-20)16(22)19-9-3-4-10-19/h5,8,11,14-15H,2-4,6-7,9-10,12-13H2,1H3.
What are the key properties of 2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one has a molecular weight of 318.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 70720146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).