N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide

C20H28N4O — CID 119279361

IUPACN-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCCNC2)n(Cc2ccccc2)n1
InChIInChI=1S/C20H28N4O/c1-20(2,3)17-12-18(22-19(25)16-10-7-11-21-13-16)24(23-17)14-15-8-5-4-6-9-15/h4-6,8-9,12,16,21H,7,10-11,13-14H2,1-3H3,(H,22,25)
InChIKeyVJQKVHCAPXYJQJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.17
Rot. Bonds4

About N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide

N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide (PubChem CID 119279361) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide
PubChem CID119279361
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCCNC2)n(Cc2ccccc2)n1
InChIInChI=1S/C20H28N4O/c1-20(2,3)17-12-18(22-19(25)16-10-7-11-21-13-16)24(23-17)14-15-8-5-4-6-9-15/h4-6,8-9,12,16,21H,7,10-11,13-14H2,1-3H3,(H,22,25)
InChIKeyVJQKVHCAPXYJQJ-UHFFFAOYSA-N
XLogP3.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78847394
1-[(1-benzyl-3-tert-butylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122075393
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 112845124
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55556615
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55687718
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55554934
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide
CID 86939297
N-(1-benzylimidazol-2-yl)piperidine-3-carboxamide
CID 119297675
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173
N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide
CID 119704837
3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride
CID 119704784
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 119275721

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide (CID 119279361) is N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide is CC(C)(C)c1cc(NC(=O)C2CCCNC2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide?
The InChIKey is VJQKVHCAPXYJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(2,3)17-12-18(22-19(25)16-10-7-11-21-13-16)24(23-17)14-15-8-5-4-6-9-15/h4-6,8-9,12,16,21H,7,10-11,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide?
N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-tert-butylpyrazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 119279361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).