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

C13H19N3OS — CID 43729057

IUPAC1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine
SMILESCOCCn1cc(NC(C)c2ccc(C)s2)cn1
InChIInChI=1S/C13H19N3OS/c1-10-4-5-13(18-10)11(2)15-12-8-14-16(9-12)6-7-17-3/h4-5,8-9,11,15H,6-7H2,1-3H3
InChIKeyZCSNGOKKEWVXHW-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.07
Rot. Bonds6

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

1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine (PubChem CID 43729057) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine
PubChem CID43729057
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine
SMILESCOCCn1cc(NC(C)c2ccc(C)s2)cn1
InChIInChI=1S/C13H19N3OS/c1-10-4-5-13(18-10)11(2)15-12-8-14-16(9-12)6-7-17-3/h4-5,8-9,11,15H,6-7H2,1-3H3
InChIKeyZCSNGOKKEWVXHW-UHFFFAOYSA-N
XLogP3.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine
CID 43728870
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 83117285
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
CID 43729075
2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine
CID 103388669
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728901
N-[1-(4-ethylphenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728906
N-[1-(4-chlorophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729107
N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728920
1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine
CID 43729083
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine
CID 79007290
N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728872

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine (CID 43729057) is 1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine is COCCn1cc(NC(C)c2ccc(C)s2)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine?
The InChIKey is ZCSNGOKKEWVXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10-4-5-13(18-10)11(2)15-12-8-14-16(9-12)6-7-17-3/h4-5,8-9,11,15H,6-7H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine?
1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine has a molecular weight of 265.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 43729057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).