N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide

C20H32N6O3 — CID 166196436

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
SMILESCc1cc(C)n(CC(C)NC(=O)COCC(=O)NC(C)Cn2nc(C)cc2C)n1
InChIInChI=1S/C20H32N6O3/c1-13-7-17(5)25(23-13)9-15(3)21-19(27)11-29-12-20(28)22-16(4)10-26-18(6)8-14(2)24-26/h7-8,15-16H,9-12H2,1-6H3,(H,21,27)(H,22,28)
InChIKeyQQMZBKLUWWZKQP-UHFFFAOYSA-N
MW404.52 g/mol
LogP1.04
Rot. Bonds10

About N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide (PubChem CID 166196436) has the molecular formula C20H32N6O3 and a molecular weight of 404.52 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
PubChem CID166196436
Molecular FormulaC20H32N6O3
Molecular Weight404.52 g/mol
Exact Mass404.25
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
SMILESCc1cc(C)n(CC(C)NC(=O)COCC(=O)NC(C)Cn2nc(C)cc2C)n1
InChIInChI=1S/C20H32N6O3/c1-13-7-17(5)25(23-13)9-15(3)21-19(27)11-29-12-20(28)22-16(4)10-26-18(6)8-14(2)24-26/h7-8,15-16H,9-12H2,1-6H3,(H,21,27)(H,22,28)
InChIKeyQQMZBKLUWWZKQP-UHFFFAOYSA-N
XLogP1.04
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate
CID 43538173
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(4-methoxy-1-oxophthalazin-2-yl)acetamide
CID 51597569
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 51852027
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
CID 118782087
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide
CID 124848562
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
CID 845395
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 97443871
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 95850098
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
CID 126448508

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide (CID 166196436) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide is Cc1cc(C)n(CC(C)NC(=O)COCC(=O)NC(C)Cn2nc(C)cc2C)n1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide?
The InChIKey is QQMZBKLUWWZKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O3/c1-13-7-17(5)25(23-13)9-15(3)21-19(27)11-29-12-20(28)22-16(4)10-26-18(6)8-14(2)24-26/h7-8,15-16H,9-12H2,1-6H3,(H,21,27)(H,22,28).
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide has a molecular weight of 404.52 g/mol, XLogP of 1.04, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide is sourced from PubChem (CID 166196436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).