2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide

C16H22N4O2 — CID 3047143

IUPAC2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide
SMILESCc1c(NC(=O)C(N)C(C)C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C16H22N4O2/c1-10(2)13(17)15(21)18-14-11(3)19(4)20(16(14)22)12-8-6-5-7-9-12/h5-10,13H,17H2,1-4H3,(H,18,21)
InChIKeyLTCDIBPDVWRKOA-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.41
Rot. Bonds4

About 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide

2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide (PubChem CID 3047143) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide
PubChem CID3047143
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide
SMILESCc1c(NC(=O)C(N)C(C)C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C16H22N4O2/c1-10(2)13(17)15(21)18-14-11(3)19(4)20(16(14)22)12-8-6-5-7-9-12/h5-10,13H,17H2,1-4H3,(H,18,21)
InChIKeyLTCDIBPDVWRKOA-UHFFFAOYSA-N
XLogP1.41
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 4583375
2-[(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]sulfanylacetic acid
CID 2125351
2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pentanamide
CID 119261464
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methoxy-2-phenylacetamide
CID 40612688
(2S)-2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylsulfanylbutanamide
CID 119261454
2-benzylsulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 2899652
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 51943952
2-(2-chlorophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 3606208
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-propan-2-ylphenoxy)propanamide
CID 94019271
[(2S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate
CID 2386609
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methoxyphenoxy)propanamide
CID 1283770

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide (CID 3047143) is 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide is Cc1c(NC(=O)C(N)C(C)C)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide?
The InChIKey is LTCDIBPDVWRKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(2)13(17)15(21)18-14-11(3)19(4)20(16(14)22)12-8-6-5-7-9-12/h5-10,13H,17H2,1-4H3,(H,18,21).
What are the key properties of 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide?
2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide has a molecular weight of 302.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide is sourced from PubChem (CID 3047143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).