methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate

C12H19N3O3 — CID 114274338

IUPACmethyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate
SMILESCCOc1cnn(C2CCC(N)(C(=O)OC)C2)c1
InChIInChI=1S/C12H19N3O3/c1-3-18-10-7-14-15(8-10)9-4-5-12(13,6-9)11(16)17-2/h7-9H,3-6,13H2,1-2H3
InChIKeyMDPVFWXWTGLVRJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.88
Rot. Bonds4

About methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate

methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate (PubChem CID 114274338) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate
PubChem CID114274338
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate
SMILESCCOc1cnn(C2CCC(N)(C(=O)OC)C2)c1
InChIInChI=1S/C12H19N3O3/c1-3-18-10-7-14-15(8-10)9-4-5-12(13,6-9)11(16)17-2/h7-9H,3-6,13H2,1-2H3
InChIKeyMDPVFWXWTGLVRJ-UHFFFAOYSA-N
XLogP0.88
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-amino-3-(4-methylpyrazol-1-yl)cyclopentane-1-carboxylate
CID 79651037
methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79651204
methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
CID 79651759
methyl 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79651817
ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate
CID 79646418
ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate
CID 79650847
ethyl 3-(4-iodopyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649106
1-amino-3-(4-methylpyrazol-1-yl)cyclohexane-1-carboxamide
CID 79637821
methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate
CID 79648377
ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate
CID 79649099
ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
CID 79650764
methyl 1-amino-3-(2-methylimidazol-1-yl)cyclohexane-1-carboxylate
CID 79641864

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate (CID 114274338) is methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate is CCOc1cnn(C2CCC(N)(C(=O)OC)C2)c1.
What is the InChIKey of methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate?
The InChIKey is MDPVFWXWTGLVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-18-10-7-14-15(8-10)9-4-5-12(13,6-9)11(16)17-2/h7-9H,3-6,13H2,1-2H3.
What are the key properties of methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate?
methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 114274338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).