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

C13H23N3O — CID 62522740

IUPAC[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
SMILESCc1nn(C)c(C)c1CNC1(CO)CCCC1
InChIInChI=1S/C13H23N3O/c1-10-12(11(2)16(3)15-10)8-14-13(9-17)6-4-5-7-13/h14,17H,4-9H2,1-3H3
InChIKeyXWWLCIYLVKOCSJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.43
Rot. Bonds4

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

[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclopentyl]methanol (PubChem CID 62522740) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
PubChem CID62522740
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
SMILESCc1nn(C)c(C)c1CNC1(CO)CCCC1
InChIInChI=1S/C13H23N3O/c1-10-12(11(2)16(3)15-10)8-14-13(9-17)6-4-5-7-13/h14,17H,4-9H2,1-3H3
InChIKeyXWWLCIYLVKOCSJ-UHFFFAOYSA-N
XLogP1.43
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclopentyl]methanol (CID 62522740) is [1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclopentyl]methanol is Cc1nn(C)c(C)c1CNC1(CO)CCCC1.
What is the InChIKey of [1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclopentyl]methanol?
The InChIKey is XWWLCIYLVKOCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-12(11(2)16(3)15-10)8-14-13(9-17)6-4-5-7-13/h14,17H,4-9H2,1-3H3.
What are the key properties of [1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclopentyl]methanol?
[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclopentyl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 62522740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).