5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide

C17H24N4O — CID 82188785

IUPAC5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N)n(C(C)(C)C)n1
InChIInChI=1S/C17H24N4O/c1-5-20(12-13-9-7-6-8-10-13)16(22)14-11-15(18)21(19-14)17(2,3)4/h6-11H,5,12,18H2,1-4H3
InChIKeyFFQXMUMITQFNOZ-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.88
Rot. Bonds4

About 5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide

5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide (PubChem CID 82188785) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide
PubChem CID82188785
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N)n(C(C)(C)C)n1
InChIInChI=1S/C17H24N4O/c1-5-20(12-13-9-7-6-8-10-13)16(22)14-11-15(18)21(19-14)17(2,3)4/h6-11H,5,12,18H2,1-4H3
InChIKeyFFQXMUMITQFNOZ-UHFFFAOYSA-N
XLogP2.88
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]acetic acid
CID 100635915
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CID 90536729
N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide
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N-benzyl-6-chloro-N-ethylimidazo[1,2-b]pyridazine-2-carboxamide
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3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
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N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide
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3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide
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N-benzyl-6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859356
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide?
The IUPAC name of 5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide (CID 82188785) is 5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide?
The canonical SMILES for 5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(N)n(C(C)(C)C)n1.
What is the InChIKey of 5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide?
The InChIKey is FFQXMUMITQFNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-5-20(12-13-9-7-6-8-10-13)16(22)14-11-15(18)21(19-14)17(2,3)4/h6-11H,5,12,18H2,1-4H3.
What are the key properties of 5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide?
5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 82188785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).