[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol

C15H28N4O — CID 43281527

IUPAC[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol
SMILESCCCNCc1c(C)nn(C)c1N1CCC(CO)CC1
InChIInChI=1S/C15H28N4O/c1-4-7-16-10-14-12(2)17-18(3)15(14)19-8-5-13(11-20)6-9-19/h13,16,20H,4-11H2,1-3H3
InChIKeyBHDVPHWANOVLTG-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.44
Rot. Bonds6

About [1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol

[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol (PubChem CID 43281527) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is [1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol
PubChem CID43281527
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol
SMILESCCCNCc1c(C)nn(C)c1N1CCC(CO)CC1
InChIInChI=1S/C15H28N4O/c1-4-7-16-10-14-12(2)17-18(3)15(14)19-8-5-13(11-20)6-9-19/h13,16,20H,4-11H2,1-3H3
InChIKeyBHDVPHWANOVLTG-UHFFFAOYSA-N
XLogP1.44
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol (CID 43281527) is [1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol is CCCNCc1c(C)nn(C)c1N1CCC(CO)CC1.
What is the InChIKey of [1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol?
The InChIKey is BHDVPHWANOVLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-7-16-10-14-12(2)17-18(3)15(14)19-8-5-13(11-20)6-9-19/h13,16,20H,4-11H2,1-3H3.
What are the key properties of [1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol?
[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol has a molecular weight of 280.42 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 43281527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).