methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate

C13H22N4O3 — CID 90647625

IUPACmethyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate
SMILESCCn1nc(C)c(CNC(=O)C(C)NC(=O)OC)c1C
InChIInChI=1S/C13H22N4O3/c1-6-17-10(4)11(8(2)16-17)7-14-12(18)9(3)15-13(19)20-5/h9H,6-7H2,1-5H3,(H,14,18)(H,15,19)
InChIKeyHMOMNHYQKKMLJB-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.88
Rot. Bonds5

About methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate

methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 90647625) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate
PubChem CID90647625
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Namemethyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate
SMILESCCn1nc(C)c(CNC(=O)C(C)NC(=O)OC)c1C
InChIInChI=1S/C13H22N4O3/c1-6-17-10(4)11(8(2)16-17)7-14-12(18)9(3)15-13(19)20-5/h9H,6-7H2,1-5H3,(H,14,18)(H,15,19)
InChIKeyHMOMNHYQKKMLJB-UHFFFAOYSA-N
XLogP0.88
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide
CID 118761743
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide
CID 118776566
N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 31645970
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 95187109
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 4305269
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea
CID 20964116
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
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methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
ethyl 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoate
CID 23005995
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol;hydrochloride
CID 115614115
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate (CID 90647625) is methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate is CCn1nc(C)c(CNC(=O)C(C)NC(=O)OC)c1C.
What is the InChIKey of methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is HMOMNHYQKKMLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-6-17-10(4)11(8(2)16-17)7-14-12(18)9(3)15-13(19)20-5/h9H,6-7H2,1-5H3,(H,14,18)(H,15,19).
What are the key properties of methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate?
methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 90647625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).