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-tert-butylthiophen-2-yl)methyl]-1-methylpyrazol-4-amine
CID 81499024
N,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 115607960
N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-4-amine
CID 79769857
N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115702299
3-chloro-N-[(5-methoxythiophen-2-yl)methyl]aniline
CID 115743308
N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776698
N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine
CID 62346496
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776617
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine
CID 43776636
N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine
CID 130949120
N-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine
CID 115702396
4-[[(1-methylpyrazol-4-yl)amino]methyl]benzene-1,2,3-triol
CID 103953341

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).