N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine

C10H13N3OS — CID 63049730

IUPACN-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCOCCNc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C10H13N3OS/c1-14-5-4-11-10-7-8(12-13-10)9-3-2-6-15-9/h2-3,6-7H,4-5H2,1H3,(H2,11,12,13)
InChIKeyPNMIFTSVZCXUJQ-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.20
Rot. Bonds5

About N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine

N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 63049730) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID63049730
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCOCCNc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C10H13N3OS/c1-14-5-4-11-10-7-8(12-13-10)9-3-2-6-15-9/h2-3,6-7H,4-5H2,1H3,(H2,11,12,13)
InChIKeyPNMIFTSVZCXUJQ-UHFFFAOYSA-N
XLogP2.20
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine (CID 63049730) is N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine is COCCNc1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is PNMIFTSVZCXUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-14-5-4-11-10-7-8(12-13-10)9-3-2-6-15-9/h2-3,6-7H,4-5H2,1H3,(H2,11,12,13).
What are the key properties of N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine?
N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 223.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 63049730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).