2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate

C10H18N4O2 — CID 83211873

IUPAC2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate
SMILESCCc1cc(CNCCOC(N)=O)n(C)n1
InChIInChI=1S/C10H18N4O2/c1-3-8-6-9(14(2)13-8)7-12-4-5-16-10(11)15/h6,12H,3-5,7H2,1-2H3,(H2,11,15)
InChIKeyFCRFMDQWSZKUOF-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.17
Rot. Bonds6

About 2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate

2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate (PubChem CID 83211873) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate
PubChem CID83211873
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate
SMILESCCc1cc(CNCCOC(N)=O)n(C)n1
InChIInChI=1S/C10H18N4O2/c1-3-8-6-9(14(2)13-8)7-12-4-5-16-10(11)15/h6,12H,3-5,7H2,1-2H3,(H2,11,15)
InChIKeyFCRFMDQWSZKUOF-UHFFFAOYSA-N
XLogP0.17
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114097894
2-but-3-enoxy-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 106402039
2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate
CID 83211703
2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide
CID 106237704
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-iodopentan-1-amine
CID 107320052
2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]ethyl carbamate
CID 83211857
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973244
2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methylbutanoic acid
CID 79801800
5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine
CID 165451091
1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79236885
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine
CID 114130531

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate (CID 83211873) is 2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate is CCc1cc(CNCCOC(N)=O)n(C)n1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate?
The InChIKey is FCRFMDQWSZKUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-8-6-9(14(2)13-8)7-12-4-5-16-10(11)15/h6,12H,3-5,7H2,1-2H3,(H2,11,15).
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate?
2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate has a molecular weight of 226.28 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate is sourced from PubChem (CID 83211873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).