[1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol

C13H23N3O — CID 79646258

IUPAC[1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol
SMILESCCc1c(C)nn(C2CCC(N)(CO)C2)c1C
InChIInChI=1S/C13H23N3O/c1-4-12-9(2)15-16(10(12)3)11-5-6-13(14,7-11)8-17/h11,17H,4-8,14H2,1-3H3
InChIKeyFHWHFUJLHNVEJE-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.48
Rot. Bonds3

About [1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol

[1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol (PubChem CID 79646258) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol
PubChem CID79646258
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol
SMILESCCc1c(C)nn(C2CCC(N)(CO)C2)c1C
InChIInChI=1S/C13H23N3O/c1-4-12-9(2)15-16(10(12)3)11-5-6-13(14,7-11)8-17/h11,17H,4-8,14H2,1-3H3
InChIKeyFHWHFUJLHNVEJE-UHFFFAOYSA-N
XLogP1.48
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol?
The IUPAC name of [1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol (CID 79646258) is [1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol is CCc1c(C)nn(C2CCC(N)(CO)C2)c1C.
What is the InChIKey of [1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol?
The InChIKey is FHWHFUJLHNVEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-12-9(2)15-16(10(12)3)11-5-6-13(14,7-11)8-17/h11,17H,4-8,14H2,1-3H3.
What are the key properties of [1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol?
[1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentyl]methanol is sourced from PubChem (CID 79646258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).