3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol

C10H19N3OS — CID 103649017

IUPAC3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol
SMILESCn1ccc(CNCCSCCCO)n1
InChIInChI=1S/C10H19N3OS/c1-13-5-3-10(12-13)9-11-4-8-15-7-2-6-14/h3,5,11,14H,2,4,6-9H2,1H3
InChIKeyNBWMYZNRVJTYCF-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.63
Rot. Bonds8

About 3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol

3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol (PubChem CID 103649017) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol
PubChem CID103649017
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol
SMILESCn1ccc(CNCCSCCCO)n1
InChIInChI=1S/C10H19N3OS/c1-13-5-3-10(12-13)9-11-4-8-15-7-2-6-14/h3,5,11,14H,2,4,6-9H2,1H3
InChIKeyNBWMYZNRVJTYCF-UHFFFAOYSA-N
XLogP0.63
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.63
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

3-[2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 106310130
2-(cyclopropylmethylsulfanyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 115703209
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 103800655
4-bromo-N-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 106844741
N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 78923359
6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid
CID 82882592
N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-1-amine
CID 78920976
N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 78920944
2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78924573
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
3-[2-[(4-ethylphenyl)methylamino]ethylsulfanyl]propan-1-ol
CID 103649185
1,1-difluoro-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103731643

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol (CID 103649017) is 3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol is Cn1ccc(CNCCSCCCO)n1.
What is the InChIKey of 3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol?
The InChIKey is NBWMYZNRVJTYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-13-5-3-10(12-13)9-11-4-8-15-7-2-6-14/h3,5,11,14H,2,4,6-9H2,1H3.
What are the key properties of 3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol?
3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol has a molecular weight of 229.35 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-methylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 103649017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).