N-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

C11H15N3S — CID 19626548

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCn1cc(CNCc2ccsc2)cn1
InChIInChI=1S/C11H15N3S/c1-2-14-8-11(7-13-14)6-12-5-10-3-4-15-9-10/h3-4,7-9,12H,2,5-6H2,1H3
InChIKeyOAPXKBCZFJUCCE-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.25
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 19626548) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID19626548
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCn1cc(CNCc2ccsc2)cn1
InChIInChI=1S/C11H15N3S/c1-2-14-8-11(7-13-14)6-12-5-10-3-4-15-9-10/h3-4,7-9,12H,2,5-6H2,1H3
InChIKeyOAPXKBCZFJUCCE-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

1-[(thiophen-3-yl)methyl]-1H-pyrazol-5-amine
CID 4962242
N,N-dimethyl-N'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N'-(3-thienylmethyl)ethane-1,2-diamine
CID 46986262
1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 71806694
7-[(1-Methylpyrazol-4-yl)methyl]-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97392900
2-[(1-Methylpyrazol-4-yl)methyl]-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97472772
2-(4-methylpyrazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 53623601
1-methyl-N-propyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 72717936
N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine
CID 84588852
2-thiophen-3-yl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
CID 64178681
1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 115742598
{[1-(2-fluoroethyl)-1H-pyrazol-4-yl]methyl}[(thiophen-2-yl)methyl]amine
CID 122168695
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(3-thienylmethyl)methanamine
CID 50964030

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (CID 19626548) is N-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is CCn1cc(CNCc2ccsc2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is OAPXKBCZFJUCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-14-8-11(7-13-14)6-12-5-10-3-4-15-9-10/h3-4,7-9,12H,2,5-6H2,1H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(1-ethylpyrazol-4-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-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 19626548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).