ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate

C15H23N3O2 — CID 79648415

IUPACethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC2CC2)CCC(n2ccc(C)n2)C1
InChIInChI=1S/C15H23N3O2/c1-3-20-14(19)15(16-12-4-5-12)8-6-13(10-15)18-9-7-11(2)17-18/h7,9,12-13,16H,3-6,8,10H2,1-2H3
InChIKeyTYYFPZPLGKNXHB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.97
Rot. Bonds5

About ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate

ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate (PubChem CID 79648415) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate
PubChem CID79648415
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC2CC2)CCC(n2ccc(C)n2)C1
InChIInChI=1S/C15H23N3O2/c1-3-20-14(19)15(16-12-4-5-12)8-6-13(10-15)18-9-7-11(2)17-18/h7,9,12-13,16H,3-6,8,10H2,1-2H3
InChIKeyTYYFPZPLGKNXHB-UHFFFAOYSA-N
XLogP1.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid
CID 79648492
ethyl 1-(cyclopropylamino)-3-morpholin-4-ylcyclopentane-1-carboxylate
CID 79650253
ethyl 1-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645147
ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645150
ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79646922
[1-(ethylamino)-3-(3-methylpyrazol-1-yl)cyclopentyl]methanol
CID 79647557
ethyl 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79651185
ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate
CID 79646418
ethyl 3-(4-iodopyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649106
ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
CID 64514272
ethyl 1-(cyclopropylamino)-3-pentoxycyclopentane-1-carboxylate
CID 79648395
ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate
CID 62389815

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate (CID 79648415) is ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate is CCOC(=O)C1(NC2CC2)CCC(n2ccc(C)n2)C1.
What is the InChIKey of ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate?
The InChIKey is TYYFPZPLGKNXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-20-14(19)15(16-12-4-5-12)8-6-13(10-15)18-9-7-11(2)17-18/h7,9,12-13,16H,3-6,8,10H2,1-2H3.
What are the key properties of ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate?
ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79648415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).