3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol

C14H20N4OS — CID 103649065

IUPAC3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C14H20N4OS/c19-6-2-7-20-8-5-16-10-13-11-17-18-14(13)12-3-1-4-15-9-12/h1,3-4,9,11,16,19H,2,5-8,10H2,(H,17,18)
InChIKeyWQESUHQWJZGTQZ-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.68
Rot. Bonds9

About 3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol

3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol (PubChem CID 103649065) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol
PubChem CID103649065
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C14H20N4OS/c19-6-2-7-20-8-5-16-10-13-11-17-18-14(13)12-3-1-4-15-9-12/h1,3-4,9,11,16,19H,2,5-8,10H2,(H,17,18)
InChIKeyWQESUHQWJZGTQZ-UHFFFAOYSA-N
XLogP1.68
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528
3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43771400
2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 115589679
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 61068727
[1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol
CID 126781528
1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 61402124
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
3-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]butan-2-ol
CID 111422008
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine
CID 71889196
N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 78978275

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol (CID 103649065) is 3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol is OCCCSCCNCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol?
The InChIKey is WQESUHQWJZGTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c19-6-2-7-20-8-5-16-10-13-11-17-18-14(13)12-3-1-4-15-9-12/h1,3-4,9,11,16,19H,2,5-8,10H2,(H,17,18).
What are the key properties of 3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol?
3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol has a molecular weight of 292.41 g/mol, XLogP of 1.68, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 103649065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).