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

C10H18N4O2 — CID 83211703

IUPAC2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate
SMILESCCn1nc(C)cc1CNCCOC(N)=O
InChIInChI=1S/C10H18N4O2/c1-3-14-9(6-8(2)13-14)7-12-4-5-16-10(11)15/h6,12H,3-5,7H2,1-2H3,(H2,11,15)
InChIKeyITHJZWYQPZHDQQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.40
Rot. Bonds6

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

2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate (PubChem CID 83211703) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate
PubChem CID83211703
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate
SMILESCCn1nc(C)cc1CNCCOC(N)=O
InChIInChI=1S/C10H18N4O2/c1-3-14-9(6-8(2)13-14)7-12-4-5-16-10(11)15/h6,12H,3-5,7H2,1-2H3,(H2,11,15)
InChIKeyITHJZWYQPZHDQQ-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate
CID 83211873
2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide
CID 106237704
1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 114164718
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104735
2-(cyclopenten-1-yl)-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 106174050
4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 66108551
3-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106190012
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193734
3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 122166161
3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CID 116560245
2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate
CID 83210925
4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 116550798

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate (CID 83211703) is 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate is CCn1nc(C)cc1CNCCOC(N)=O.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate?
The InChIKey is ITHJZWYQPZHDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-14-9(6-8(2)13-14)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-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate?
2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate has a molecular weight of 226.28 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate is sourced from PubChem (CID 83211703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).