N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine

C14H21N3OS — CID 115816052

IUPACN-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CC)c1)c1cc(OC)cs1
InChIInChI=1S/C14H21N3OS/c1-4-6-15-14(11-8-16-17(5-2)9-11)13-7-12(18-3)10-19-13/h7-10,14-15H,4-6H2,1-3H3
InChIKeyRSRUZWGGLGOZCT-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.06
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine

N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine (PubChem CID 115816052) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
PubChem CID115816052
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CC)c1)c1cc(OC)cs1
InChIInChI=1S/C14H21N3OS/c1-4-6-15-14(11-8-16-17(5-2)9-11)13-7-12(18-3)10-19-13/h7-10,14-15H,4-6H2,1-3H3
InChIKeyRSRUZWGGLGOZCT-UHFFFAOYSA-N
XLogP3.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105026473
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105042627
N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81121964
N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62126609
N-[(3-chloro-4-methylthiophen-2-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 103405377
N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 115815713
[(4-bromothiophen-2-yl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105222445
N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127179
N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105013677
N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81153035
1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 115854337
N-[(1,3-diethylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 105109029

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine (CID 115816052) is N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cnn(CC)c1)c1cc(OC)cs1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
The InChIKey is RSRUZWGGLGOZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-6-15-14(11-8-16-17(5-2)9-11)13-7-12(18-3)10-19-13/h7-10,14-15H,4-6H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine has a molecular weight of 279.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115816052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).