4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one

C14H25N3O — CID 61272334

IUPAC4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one
SMILESCCn1c(C(C)(C)C)c(N)c(=O)n1C1CCCC1
InChIInChI=1S/C14H25N3O/c1-5-16-12(14(2,3)4)11(15)13(18)17(16)10-8-6-7-9-10/h10H,5-9,15H2,1-4H3
InChIKeyZQCRCYLTTIKRCL-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.66
Rot. Bonds2

About 4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one

4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one (PubChem CID 61272334) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one
PubChem CID61272334
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one
SMILESCCn1c(C(C)(C)C)c(N)c(=O)n1C1CCCC1
InChIInChI=1S/C14H25N3O/c1-5-16-12(14(2,3)4)11(15)13(18)17(16)10-8-6-7-9-10/h10H,5-9,15H2,1-4H3
InChIKeyZQCRCYLTTIKRCL-UHFFFAOYSA-N
XLogP2.66
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-cyclohexyl-1-ethyl-5-methylpyrazol-3-one
CID 61272532
4-amino-2-cyclohexyl-1-ethyl-5-phenylpyrazol-3-one
CID 61272531
4-amino-2-cyclopentyl-5-ethyl-1-methylpyrazol-3-one
CID 61272204
4-amino-2-cyclopentyl-1,5-dimethylpyrazol-3-one
CID 55136935
4-amino-2-cycloheptyl-1-methyl-5-propan-2-ylpyrazol-3-one
CID 61271829
4-amino-5-cyclopropyl-2-(1,1-dioxothiolan-3-yl)-1-ethylpyrazol-3-one
CID 55188544
4-amino-2-(4-bromophenyl)-5-tert-butyl-1-propylpyrazol-3-one
CID 61271371
4-amino-1,2-diethyl-5-pyrrolidin-1-ylpyrazol-3-one
CID 23104163
5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011257
4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one
CID 112693118
4-amino-5-cyclopropyl-1-ethyl-2-(2-methylpropyl)pyrazol-3-one
CID 63353421
3-amino-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82466804

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one?
The IUPAC name of 4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one (CID 61272334) is 4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one.
What is the SMILES notation for 4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one?
The canonical SMILES for 4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one is CCn1c(C(C)(C)C)c(N)c(=O)n1C1CCCC1.
What is the InChIKey of 4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one?
The InChIKey is ZQCRCYLTTIKRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-16-12(14(2,3)4)11(15)13(18)17(16)10-8-6-7-9-10/h10H,5-9,15H2,1-4H3.
What are the key properties of 4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one?
4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one has a molecular weight of 251.37 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-tert-butyl-2-cyclopentyl-1-ethylpyrazol-3-one is sourced from PubChem (CID 61272334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).