N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine

C11H15N3S — CID 19626600

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCn1nccc1CNCc1ccsc1
InChIInChI=1S/C11H15N3S/c1-2-14-11(3-5-13-14)8-12-7-10-4-6-15-9-10/h3-6,9,12H,2,7-8H2,1H3
InChIKeyWXWIHZNYBLPQNH-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.25
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 19626600) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID19626600
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCn1nccc1CNCc1ccsc1
InChIInChI=1S/C11H15N3S/c1-2-14-11(3-5-13-14)8-12-7-10-4-6-15-9-10/h3-6,9,12H,2,7-8H2,1H3
InChIKeyWXWIHZNYBLPQNH-UHFFFAOYSA-N
XLogP2.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-N'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N'-(3-thienylmethyl)ethane-1,2-diamine
CID 46986262
N-Methyl-N-[(1-methyl-1H-pyrazol-5-YL)methyl]-2-thiophenesulfonamide
CID 19580405
(2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine
CID 124848303
2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
CID 55088469
1-Thiophen-3-yl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 61631820
2-Thiophen-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 61631915
1-Thiophen-3-yl-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-amine
CID 61631960
N-[(3-methylthiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 62565448
1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 115742598
1-(Thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 116621382
[(1,4-dimethyl-1H-pyrazol-5-yl)methyl][(5-fluorothiophen-2-yl)methyl]amine
CID 122165812
1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 128973411

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine (CID 19626600) is N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine is CCn1nccc1CNCc1ccsc1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is WXWIHZNYBLPQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-14-11(3-5-13-14)8-12-7-10-4-6-15-9-10/h3-6,9,12H,2,7-8H2,1H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 221.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 19626600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).