2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol

C16H30N4O — CID 107228099

IUPAC2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol
SMILESCCCNCc1c(C)nn(C)c1N1CCCC(CCO)C1
InChIInChI=1S/C16H30N4O/c1-4-8-17-11-15-13(2)18-19(3)16(15)20-9-5-6-14(12-20)7-10-21/h14,17,21H,4-12H2,1-3H3
InChIKeyRSTUJBDMRLPMJJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.83
Rot. Bonds7

About 2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol

2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol (PubChem CID 107228099) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol
PubChem CID107228099
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol
SMILESCCCNCc1c(C)nn(C)c1N1CCCC(CCO)C1
InChIInChI=1S/C16H30N4O/c1-4-8-17-11-15-13(2)18-19(3)16(15)20-9-5-6-14(12-20)7-10-21/h14,17,21H,4-12H2,1-3H3
InChIKeyRSTUJBDMRLPMJJ-UHFFFAOYSA-N
XLogP1.83
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.83
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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Related Compounds

2-[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol
CID 107228127
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 115560687
1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-3-methylpiperidin-4-ol
CID 114679409
1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol
CID 102961085
[1-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]methanol
CID 112626629
N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 43280236
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 103535947
[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol
CID 43590482
2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228095
3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol
CID 102864776
4-(bromomethyl)-1,3-dimethyl-5-(3-propylpyrrolidin-1-yl)pyrazole
CID 107085118
N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63634287

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol (CID 107228099) is 2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol is CCCNCc1c(C)nn(C)c1N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol?
The InChIKey is RSTUJBDMRLPMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-4-8-17-11-15-13(2)18-19(3)16(15)20-9-5-6-14(12-20)7-10-21/h14,17,21H,4-12H2,1-3H3.
What are the key properties of 2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol?
2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol has a molecular weight of 294.44 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).