N-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide

C16H20N4O2 — CID 56814692

IUPACN-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NC(C(N)=O)c2ccccc2)cn1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)20-10-12(9-18-20)15(22)19-13(14(17)21)11-7-5-4-6-8-11/h4-10,13H,1-3H3,(H2,17,21)(H,19,22)
InChIKeyMNFFWKOBWWELHH-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.59
Rot. Bonds4

About N-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide

N-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide (PubChem CID 56814692) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide
PubChem CID56814692
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NC(C(N)=O)c2ccccc2)cn1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)20-10-12(9-18-20)15(22)19-13(14(17)21)11-7-5-4-6-8-11/h4-10,13H,1-3H3,(H2,17,21)(H,19,22)
InChIKeyMNFFWKOBWWELHH-UHFFFAOYSA-N
XLogP1.59
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide
CID 94608879
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide
CID 52513898
N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 51315406
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
(3R)-3-[(1-tert-butylpyrazole-4-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851599
3-[(1-tert-butylpyrazole-4-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 86782573
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-tert-butyl-5-methylpyrazole-3-carboxamide
CID 94035417
N-[(1S)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 95276504
4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide
CID 166195128
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide
CID 60509484
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 94528338
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide
CID 61121780

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide (CID 56814692) is N-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide is CC(C)(C)n1cc(C(=O)NC(C(N)=O)c2ccccc2)cn1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide?
The InChIKey is MNFFWKOBWWELHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-16(2,3)20-10-12(9-18-20)15(22)19-13(14(17)21)11-7-5-4-6-8-11/h4-10,13H,1-3H3,(H2,17,21)(H,19,22).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide is sourced from PubChem (CID 56814692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).