methyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate

C11H17N3O2 — CID 91662245

IUPACmethyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate
SMILESCCn1cc(CNC2(C(=O)OC)CC2)cn1
InChIInChI=1S/C11H17N3O2/c1-3-14-8-9(7-13-14)6-12-11(4-5-11)10(15)16-2/h7-8,12H,3-6H2,1-2H3
InChIKeyCQJKPLJUMNZZBT-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.70
Rot. Bonds5

About methyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate

methyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate (PubChem CID 91662245) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate
PubChem CID91662245
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate
SMILESCCn1cc(CNC2(C(=O)OC)CC2)cn1
InChIInChI=1S/C11H17N3O2/c1-3-14-8-9(7-13-14)6-12-11(4-5-11)10(15)16-2/h7-8,12H,3-6H2,1-2H3
InChIKeyCQJKPLJUMNZZBT-UHFFFAOYSA-N
XLogP0.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate (CID 91662245) is methyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate is CCn1cc(CNC2(C(=O)OC)CC2)cn1.
What is the InChIKey of methyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate?
The InChIKey is CQJKPLJUMNZZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-14-8-9(7-13-14)6-12-11(4-5-11)10(15)16-2/h7-8,12H,3-6H2,1-2H3.
What are the key properties of methyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate?
methyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate is sourced from PubChem (CID 91662245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).