methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate

C15H25N3O2 — CID 79570989

IUPACmethyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCCC1CCn1cccn1
InChIInChI=1S/C15H25N3O2/c1-12(2)17-15(14(19)20-3)8-4-6-13(15)7-11-18-10-5-9-16-18/h5,9-10,12-13,17H,4,6-8,11H2,1-3H3
InChIKeyIJVYNORTNVAPIP-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.98
Rot. Bonds6

About methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate

methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate (PubChem CID 79570989) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate
PubChem CID79570989
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namemethyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCCC1CCn1cccn1
InChIInChI=1S/C15H25N3O2/c1-12(2)17-15(14(19)20-3)8-4-6-13(15)7-11-18-10-5-9-16-18/h5,9-10,12-13,17H,4,6-8,11H2,1-3H3
InChIKeyIJVYNORTNVAPIP-UHFFFAOYSA-N
XLogP1.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate
CID 79571908
1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxamide
CID 79571409
2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79571204
2-[2-(2-methylimidazol-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79571334
methyl 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79578047
1-(propan-2-ylamino)-2-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 79575874
methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79573398
methyl 1-(ethylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 104603829
ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571764
methyl 1-(ethylamino)-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
CID 79577741
2-(2-piperidin-1-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79578077
methyl 1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentane-1-carboxylate
CID 102984407

Frequently Asked Questions

What is the IUPAC name of methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate (CID 79570989) is methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate is COC(=O)C1(NC(C)C)CCCC1CCn1cccn1.
What is the InChIKey of methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate?
The InChIKey is IJVYNORTNVAPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)17-15(14(19)20-3)8-4-6-13(15)7-11-18-10-5-9-16-18/h5,9-10,12-13,17H,4,6-8,11H2,1-3H3.
What are the key properties of methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate?
methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79570989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).