N-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

C15H21N3OS — CID 43745552

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCc1ccc(C(C)Nc2cnn(CC3CCCO3)c2)s1
InChIInChI=1S/C15H21N3OS/c1-11-5-6-15(20-11)12(2)17-13-8-16-18(9-13)10-14-4-3-7-19-14/h5-6,8-9,12,14,17H,3-4,7,10H2,1-2H3
InChIKeyLJJNKHWLHCOOGF-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.61
Rot. Bonds5

About N-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

N-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 43745552) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID43745552
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCc1ccc(C(C)Nc2cnn(CC3CCCO3)c2)s1
InChIInChI=1S/C15H21N3OS/c1-11-5-6-15(20-11)12(2)17-13-8-16-18(9-13)10-14-4-3-7-19-14/h5-6,8-9,12,14,17H,3-4,7,10H2,1-2H3
InChIKeyLJJNKHWLHCOOGF-UHFFFAOYSA-N
XLogP3.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 43745552) is N-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is Cc1ccc(C(C)Nc2cnn(CC3CCCO3)c2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is LJJNKHWLHCOOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11-5-6-15(20-11)12(2)17-13-8-16-18(9-13)10-14-4-3-7-19-14/h5-6,8-9,12,14,17H,3-4,7,10H2,1-2H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
N-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 291.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43745552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).