N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine

C13H19N3OS — CID 113229317

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
SMILESCOc1c(CNCc2ccc(C)s2)c(C)nn1C
InChIInChI=1S/C13H19N3OS/c1-9-5-6-11(18-9)7-14-8-12-10(2)15-16(3)13(12)17-4/h5-6,14H,7-8H2,1-4H3
InChIKeyHDNHYICNQAFOCP-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.40
Rot. Bonds5

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine (PubChem CID 113229317) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
PubChem CID113229317
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
SMILESCOc1c(CNCc2ccc(C)s2)c(C)nn1C
InChIInChI=1S/C13H19N3OS/c1-9-5-6-11(18-9)7-14-8-12-10(2)15-16(3)13(12)17-4/h5-6,14H,7-8H2,1-4H3
InChIKeyHDNHYICNQAFOCP-UHFFFAOYSA-N
XLogP2.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]thiophene-2-carboxamide
CID 51105122
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 51105316
(1R)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 52534239
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 75484362
3-Methoxy-1-methyl-4-[(3-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyrazole
CID 19733811
1-(5-fluoro-1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 51105308
1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 51131245
(1S)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 52536040
(1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 52536041
4-(difluoromethylsulfanyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115743316
2-(difluoromethylsulfanyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 116014954
1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 128990698

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine (CID 113229317) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine is COc1c(CNCc2ccc(C)s2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
The InChIKey is HDNHYICNQAFOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-5-6-11(18-9)7-14-8-12-10(2)15-16(3)13(12)17-4/h5-6,14H,7-8H2,1-4H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine has a molecular weight of 265.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 113229317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).