N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine

C11H15N3OS — CID 115702299

IUPACN-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCOc1ccc(CNCc2ccnn2C)s1
InChIInChI=1S/C11H15N3OS/c1-14-9(5-6-13-14)7-12-8-10-3-4-11(15-2)16-10/h3-6,12H,7-8H2,1-2H3
InChIKeyHBJLFWPICDGCGD-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.78
Rot. Bonds5

About N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine

N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (PubChem CID 115702299) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
PubChem CID115702299
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCOc1ccc(CNCc2ccnn2C)s1
InChIInChI=1S/C11H15N3OS/c1-14-9(5-6-13-14)7-12-8-10-3-4-11(15-2)16-10/h3-6,12H,7-8H2,1-2H3
InChIKeyHBJLFWPICDGCGD-UHFFFAOYSA-N
XLogP1.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 19626588
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 63302222
2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663111
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625007
1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965504
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate
CID 63302632
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 104878601
N-[(5-methoxythiophen-2-yl)methyl]-1-methylpyrazol-4-amine
CID 115702418
2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19619324

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (CID 115702299) is N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine is COc1ccc(CNCc2ccnn2C)s1.
What is the InChIKey of N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is HBJLFWPICDGCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-14-9(5-6-13-14)7-12-8-10-3-4-11(15-2)16-10/h3-6,12H,7-8H2,1-2H3.
What are the key properties of N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 237.33 g/mol, XLogP of 1.78, 5 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-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115702299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).