N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine

C13H19N3OS — CID 107559294

IUPACN-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
SMILESCCCn1cc(OCc2ccc(CNC)s2)cn1
InChIInChI=1S/C13H19N3OS/c1-3-6-16-9-11(7-15-16)17-10-13-5-4-12(18-13)8-14-2/h4-5,7,9,14H,3,6,8,10H2,1-2H3
InChIKeySRMQULIZPAMYHN-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.65
Rot. Bonds7

About N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine

N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine (PubChem CID 107559294) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
PubChem CID107559294
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
SMILESCCCn1cc(OCc2ccc(CNC)s2)cn1
InChIInChI=1S/C13H19N3OS/c1-3-6-16-9-11(7-15-16)17-10-13-5-4-12(18-13)8-14-2/h4-5,7,9,14H,3,6,8,10H2,1-2H3
InChIKeySRMQULIZPAMYHN-UHFFFAOYSA-N
XLogP2.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine (CID 107559294) is N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine is CCCn1cc(OCc2ccc(CNC)s2)cn1.
What is the InChIKey of N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
The InChIKey is SRMQULIZPAMYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-3-6-16-9-11(7-15-16)17-10-13-5-4-12(18-13)8-14-2/h4-5,7,9,14H,3,6,8,10H2,1-2H3.
What are the key properties of N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine has a molecular weight of 265.38 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107559294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).