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

C12H21N3O — CID 79645016

IUPAC[1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentyl]methanol
SMILESCc1nn(C2CCC(N)(CO)C2)c(C)c1C
InChIInChI=1S/C12H21N3O/c1-8-9(2)14-15(10(8)3)11-4-5-12(13,6-11)7-16/h11,16H,4-7,13H2,1-3H3
InChIKeyLPVRJYXTGUCIOO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.22
Rot. Bonds2

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

[1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentyl]methanol (PubChem CID 79645016) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentyl]methanol
PubChem CID79645016
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentyl]methanol
SMILESCc1nn(C2CCC(N)(CO)C2)c(C)c1C
InChIInChI=1S/C12H21N3O/c1-8-9(2)14-15(10(8)3)11-4-5-12(13,6-11)7-16/h11,16H,4-7,13H2,1-3H3
InChIKeyLPVRJYXTGUCIOO-UHFFFAOYSA-N
XLogP1.22
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentyl]methanol?
The IUPAC name of [1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentyl]methanol (CID 79645016) is [1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentyl]methanol is Cc1nn(C2CCC(N)(CO)C2)c(C)c1C.
What is the InChIKey of [1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentyl]methanol?
The InChIKey is LPVRJYXTGUCIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-9(2)14-15(10(8)3)11-4-5-12(13,6-11)7-16/h11,16H,4-7,13H2,1-3H3.
What are the key properties of [1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentyl]methanol?
[1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(3,4,5-trimethylpyrazol-1-yl)cyclopentyl]methanol is sourced from PubChem (CID 79645016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).