N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine

C14H21N3S — CID 112668597

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(C(C)NCc2cn(C)nc2C)s1
InChIInChI=1S/C14H21N3S/c1-5-13-6-7-14(18-13)11(3)15-8-12-9-17(4)16-10(12)2/h6-7,9,11,15H,5,8H2,1-4H3
InChIKeyBOFPGRCGXMYSAP-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.20
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine (PubChem CID 112668597) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine
PubChem CID112668597
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(C(C)NCc2cn(C)nc2C)s1
InChIInChI=1S/C14H21N3S/c1-5-13-6-7-14(18-13)11(3)15-8-12-9-17(4)16-10(12)2/h6-7,9,11,15H,5,8H2,1-4H3
InChIKeyBOFPGRCGXMYSAP-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115767863
1-(5-ethylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280479
4-[1-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]phenol
CID 112668646
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 83088818
(1S)-1-(4-bromophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088989
1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629100
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine
CID 19625559
1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 62369422
1-(2,5-dichlorothiophen-3-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 114082787
(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 83089241
N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 61334719
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282301

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine (CID 112668597) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine is CCc1ccc(C(C)NCc2cn(C)nc2C)s1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine?
The InChIKey is BOFPGRCGXMYSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-5-13-6-7-14(18-13)11(3)15-8-12-9-17(4)16-10(12)2/h6-7,9,11,15H,5,8H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine has a molecular weight of 263.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 112668597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).