1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine

C12H16ClN3S — CID 62125652

IUPAC1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCn1cc(CNC(C)c2ccc(Cl)s2)cn1
InChIInChI=1S/C12H16ClN3S/c1-3-16-8-10(7-15-16)6-14-9(2)11-4-5-12(13)17-11/h4-5,7-9,14H,3,6H2,1-2H3
InChIKeyPNQUCBHRZMYTOC-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.47
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 62125652) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
PubChem CID62125652
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCn1cc(CNC(C)c2ccc(Cl)s2)cn1
InChIInChI=1S/C12H16ClN3S/c1-3-16-8-10(7-15-16)6-14-9(2)11-4-5-12(13)17-11/h4-5,7-9,14H,3,6H2,1-2H3
InChIKeyPNQUCBHRZMYTOC-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81378018
(1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81400661
1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43427117
N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine
CID 103569367
1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 19625638
1-(5-chlorothiophen-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682250
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534
1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
CID 80696138
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine
CID 43432658

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine (CID 62125652) is 1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine is CCn1cc(CNC(C)c2ccc(Cl)s2)cn1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is PNQUCBHRZMYTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-3-16-8-10(7-15-16)6-14-9(2)11-4-5-12(13)17-11/h4-5,7-9,14H,3,6H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 269.80 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 62125652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).