N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C18H26N6O — CID 71869796

IUPACN-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCC(C)(C)Cc1cc(NC(=O)C2CCN(c3cnccn3)CC2)n[nH]1
InChIInChI=1S/C18H26N6O/c1-18(2,3)11-14-10-15(23-22-14)21-17(25)13-4-8-24(9-5-13)16-12-19-6-7-20-16/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3,(H2,21,22,23,25)
InChIKeyXJJLXHWTZHNHKM-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.64
Rot. Bonds4

About N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 71869796) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID71869796
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCC(C)(C)Cc1cc(NC(=O)C2CCN(c3cnccn3)CC2)n[nH]1
InChIInChI=1S/C18H26N6O/c1-18(2,3)11-14-10-15(23-22-14)21-17(25)13-4-8-24(9-5-13)16-12-19-6-7-20-16/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3,(H2,21,22,23,25)
InChIKeyXJJLXHWTZHNHKM-UHFFFAOYSA-N
XLogP2.64
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-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

N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222636
3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid
CID 126794812
N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 95623720
N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222631
N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792102
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622
N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222644
N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797507
N-(4-fluoro-2-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33284913
N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33288627
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 112830981
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 71869796) is N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide is CC(C)(C)Cc1cc(NC(=O)C2CCN(c3cnccn3)CC2)n[nH]1.
What is the InChIKey of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is XJJLXHWTZHNHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-18(2,3)11-14-10-15(23-22-14)21-17(25)13-4-8-24(9-5-13)16-12-19-6-7-20-16/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3,(H2,21,22,23,25).
What are the key properties of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 71869796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).