N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide

C19H24N6O2 — CID 22196163

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCc1c(NC(=O)CN(C)Cc2cnn(C)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H24N6O2/c1-14-18(19(27)25(24(14)4)16-8-6-5-7-9-16)21-17(26)13-22(2)11-15-10-20-23(3)12-15/h5-10,12H,11,13H2,1-4H3,(H,21,26)
InChIKeyCPIIOPISBUKUMS-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.29
Rot. Bonds6

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 22196163) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID22196163
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCc1c(NC(=O)CN(C)Cc2cnn(C)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H24N6O2/c1-14-18(19(27)25(24(14)4)16-8-6-5-7-9-16)21-17(26)13-22(2)11-15-10-20-23(3)12-15/h5-10,12H,11,13H2,1-4H3,(H,21,26)
InChIKeyCPIIOPISBUKUMS-UHFFFAOYSA-N
XLogP1.29
TPSA77.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17416541
N-(2-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 61438617
N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196125
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide
CID 55883256
N-(2,3-dichlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196117
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
CID 8701756
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969735
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98208541
N-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196148
N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17416540
2-[benzyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 51178917
N-(3-chlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196114

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide (CID 22196163) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide is Cc1c(NC(=O)CN(C)Cc2cnn(C)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is CPIIOPISBUKUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-14-18(19(27)25(24(14)4)16-8-6-5-7-9-16)21-17(26)13-22(2)11-15-10-20-23(3)12-15/h5-10,12H,11,13H2,1-4H3,(H,21,26).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 368.44 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 22196163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).