N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine

C15H23N3OS — CID 114649457

IUPACN-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1c(OC)cnn1CC
InChIInChI=1S/C15H23N3OS/c1-4-8-16-13(10-12-7-6-9-20-12)15-14(19-3)11-17-18(15)5-2/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3
InChIKeyNETOTPMOOCDEKG-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.26
Rot. Bonds8

About N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine

N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine (PubChem CID 114649457) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine
PubChem CID114649457
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1c(OC)cnn1CC
InChIInChI=1S/C15H23N3OS/c1-4-8-16-13(10-12-7-6-9-20-12)15-14(19-3)11-17-18(15)5-2/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3
InChIKeyNETOTPMOOCDEKG-UHFFFAOYSA-N
XLogP3.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine
CID 114648681
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928708
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646984
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
CID 114648667
N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114687494
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 114646323
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine
CID 114652904
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105047733
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63155524
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114648328

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine (CID 114649457) is N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine is CCCNC(Cc1cccs1)c1c(OC)cnn1CC.
What is the InChIKey of N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is NETOTPMOOCDEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-4-8-16-13(10-12-7-6-9-20-12)15-14(19-3)11-17-18(15)5-2/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3.
What are the key properties of N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine?
N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 293.44 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 114649457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).