1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine

C11H19N3OS — CID 75504096

IUPAC1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine
SMILESCOCCCn1ccc(NC2CCSC2)n1
InChIInChI=1S/C11H19N3OS/c1-15-7-2-5-14-6-3-11(13-14)12-10-4-8-16-9-10/h3,6,10H,2,4-5,7-9H2,1H3,(H,12,13)
InChIKeyNKRGHBMSBVGNJV-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.84
Rot. Bonds6

About 1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine

1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine (PubChem CID 75504096) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine
PubChem CID75504096
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine
SMILESCOCCCn1ccc(NC2CCSC2)n1
InChIInChI=1S/C11H19N3OS/c1-15-7-2-5-14-6-3-11(13-14)12-10-4-8-16-9-10/h3,6,10H,2,4-5,7-9H2,1H3,(H,12,13)
InChIKeyNKRGHBMSBVGNJV-UHFFFAOYSA-N
XLogP1.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 2998318
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CID 71918463
1-(3-methoxypropyl)-N-(thian-4-yl)pyrazol-3-amine
CID 75380852
1-(3-methylbutyl)-N-(thiolan-3-yl)pyrazol-3-amine
CID 84597748
2-(2-methoxyethylsulfanyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 45812149
1-(2,2-difluoroethyl)-N-(thiolan-3-yl)pyrazol-3-amine
CID 75483531
1-(2,2-difluoroethyl)-N-[(3R)-thiolan-3-yl]pyrazol-3-amine
CID 97338491
1-(2,2-difluoroethyl)-N-[(3S)-thiolan-3-yl]pyrazol-3-amine
CID 97338492
1-(2,2-difluoroethyl)-N-(3-ethylsulfanylpropyl)pyrazol-3-amine
CID 104179996
1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-3-amine
CID 115688422
1-(2,2-difluoroethyl)-N-(thian-4-yl)pyrazol-3-amine
CID 115735749
N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 115929499

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine?
The IUPAC name of 1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine (CID 75504096) is 1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine?
The canonical SMILES for 1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine is COCCCn1ccc(NC2CCSC2)n1.
What is the InChIKey of 1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine?
The InChIKey is NKRGHBMSBVGNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-15-7-2-5-14-6-3-11(13-14)12-10-4-8-16-9-10/h3,6,10H,2,4-5,7-9H2,1H3,(H,12,13).
What are the key properties of 1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine?
1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine has a molecular weight of 241.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-N-(thiolan-3-yl)pyrazol-3-amine is sourced from PubChem (CID 75504096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).