N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide

C24H37N5O — CID 42684871

IUPACN-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide
SMILESCC(C)(C)c1nn(C(C)(C)C)c(N)c1NC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H37N5O/c1-23(2,3)20-19(21(25)29(27-20)24(4,5)6)26-22(30)28-14-12-18(13-15-28)16-17-10-8-7-9-11-17/h7-11,18H,12-16,25H2,1-6H3,(H,26,30)
InChIKeyFXJVQQQNXNZWTR-UHFFFAOYSA-N
MW411.59 g/mol
LogP5.00
Rot. Bonds3

About N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide

N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide (PubChem CID 42684871) has the molecular formula C24H37N5O and a molecular weight of 411.59 g/mol. Its IUPAC name is N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide
PubChem CID42684871
Molecular FormulaC24H37N5O
Molecular Weight411.59 g/mol
Exact Mass411.30
IUPAC NameN-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide
SMILESCC(C)(C)c1nn(C(C)(C)C)c(N)c1NC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H37N5O/c1-23(2,3)20-19(21(25)29(27-20)24(4,5)6)26-22(30)28-14-12-18(13-15-28)16-17-10-8-7-9-11-17/h7-11,18H,12-16,25H2,1-6H3,(H,26,30)
InChIKeyFXJVQQQNXNZWTR-UHFFFAOYSA-N
XLogP5.00
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-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

4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
CID 3455496
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992089
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
2-(4-benzylpiperidin-1-yl)-N-(4-tert-butylphenyl)-2-oxoacetamide
CID 108507060
2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one
CID 60866270
1-(4-benzylpiperidin-1-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959874
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
4-benzyl-N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-4,6-difluorophenyl]piperidine-1-carboxamide
CID 19960612
4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887249

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide?
The IUPAC name of N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide (CID 42684871) is N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide.
What is the SMILES notation for N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide?
The canonical SMILES for N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide is CC(C)(C)c1nn(C(C)(C)C)c(N)c1NC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide?
The InChIKey is FXJVQQQNXNZWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O/c1-23(2,3)20-19(21(25)29(27-20)24(4,5)6)26-22(30)28-14-12-18(13-15-28)16-17-10-8-7-9-11-17/h7-11,18H,12-16,25H2,1-6H3,(H,26,30).
What are the key properties of N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide?
N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide has a molecular weight of 411.59 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide is sourced from PubChem (CID 42684871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).