2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine

C10H13N3OS — CID 117234274

IUPAC2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine
SMILESCc1ccc(Oc2cnn(CCN)c2)s1
InChIInChI=1S/C10H13N3OS/c1-8-2-3-10(15-8)14-9-6-12-13(7-9)5-4-11/h2-3,6-7H,4-5,11H2,1H3
InChIKeyPLKWKAMDHMXFCC-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.00
Rot. Bonds4

About 2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine

2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine (PubChem CID 117234274) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine
PubChem CID117234274
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine
SMILESCc1ccc(Oc2cnn(CCN)c2)s1
InChIInChI=1S/C10H13N3OS/c1-8-2-3-10(15-8)14-9-6-12-13(7-9)5-4-11/h2-3,6-7H,4-5,11H2,1H3
InChIKeyPLKWKAMDHMXFCC-UHFFFAOYSA-N
XLogP2.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(furan-2-yloxy)pyrazol-1-yl]ethanamine
CID 117234269
2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine
CID 115051835
3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine
CID 115055561
2-[4-(4-nitrophenoxy)pyrazol-1-yl]ethanamine;hydrochloride
CID 166174646
2-(4-cyclobutyloxypyrazol-1-yl)ethanamine
CID 117234339
2-methyl-5-phenoxythiophene
CID 18738987
2-[4-(1-methylpyrrolidin-3-yl)oxypyrazol-1-yl]ethanamine
CID 117234171
2-(1-butylpyrazol-4-yl)oxyaniline
CID 166174631
2-[4-(1-methylpyrrolidin-2-yl)oxypyrazol-1-yl]ethanamine
CID 117234221
2-[4-(2-pyrrolidin-1-ylethoxy)pyrazol-1-yl]ethanamine
CID 117234343
2-[5-methyl-6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanamine
CID 116804222
3-[4-(3-chlorophenoxy)pyrazol-1-yl]propan-1-amine
CID 115055461

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine (CID 117234274) is 2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine is Cc1ccc(Oc2cnn(CCN)c2)s1.
What is the InChIKey of 2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine?
The InChIKey is PLKWKAMDHMXFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-8-2-3-10(15-8)14-9-6-12-13(7-9)5-4-11/h2-3,6-7H,4-5,11H2,1H3.
What are the key properties of 2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine?
2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine has a molecular weight of 223.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylthiophen-2-yl)oxypyrazol-1-yl]ethanamine is sourced from PubChem (CID 117234274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).