N-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine

C10H13N3OS — CID 115702418

IUPACN-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine
SMILESCOc1ccc(CNc2cnn(C)c2)s1
InChIInChI=1S/C10H13N3OS/c1-13-7-8(5-12-13)11-6-9-3-4-10(14-2)15-9/h3-5,7,11H,6H2,1-2H3
InChIKeyZAIIHLKGAUNTDL-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.10
Rot. Bonds4

About N-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine

N-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine (PubChem CID 115702418) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine
PubChem CID115702418
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine
SMILESCOc1ccc(CNc2cnn(C)c2)s1
InChIInChI=1S/C10H13N3OS/c1-13-7-8(5-12-13)11-6-9-3-4-10(14-2)15-9/h3-5,7,11H,6H2,1-2H3
InChIKeyZAIIHLKGAUNTDL-UHFFFAOYSA-N
XLogP2.10
TPSA39.08 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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-fluorothiophen-2-yl)methyl]-3-methoxy-1-methyl-1H-pyrazol-4-amine
CID 122165755
1-(2,2-difluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]-3-methoxy-1H-pyrazol-4-amine
CID 122165860
1-[[5-(2-Methyl-1,3-dioxol-2-yl)thiophen-2-yl]methyl]pyrazol-4-amine
CID 141238149
1-[[5-(2-Methyl-1,3-dioxol-2-yl)thiophen-3-yl]methyl]pyrazol-4-amine
CID 141238187
5-methoxy-N-[2-(3-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 73440600
N-[(3-methoxythiophen-2-yl)methyl]-1-propylpyrazol-4-amine
CID 75434796
3-(5-Ethylthiophen-2-yl)-1-(4-methoxyphenyl)pyrazol-4-amine
CID 83204332
1-(4-Methoxyphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83216352
1-(4-Methoxyphenyl)-3-thiophen-2-ylpyrazol-4-amine
CID 83216664
1-(2-Methoxyphenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83217666
5-methoxy-N-[2-(5-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 92562797
1-Methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine
CID 103079146

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine (CID 115702418) is N-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine is COc1ccc(CNc2cnn(C)c2)s1.
What is the InChIKey of N-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is ZAIIHLKGAUNTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-13-7-8(5-12-13)11-6-9-3-4-10(14-2)15-9/h3-5,7,11H,6H2,1-2H3.
What are the key properties of N-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine?
N-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 223.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 115702418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).