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

C11H15N3S — CID 19626496

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCn1ccc(CNCc2ccsc2)n1
InChIInChI=1S/C11H15N3S/c1-2-14-5-3-11(13-14)8-12-7-10-4-6-15-9-10/h3-6,9,12H,2,7-8H2,1H3
InChIKeyHRNASPHGLFOYCF-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.25
Rot. Bonds5

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

N-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 19626496) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID19626496
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCn1ccc(CNCc2ccsc2)n1
InChIInChI=1S/C11H15N3S/c1-2-14-5-3-11(13-14)8-12-7-10-4-6-15-9-10/h3-6,9,12H,2,7-8H2,1H3
InChIKeyHRNASPHGLFOYCF-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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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine (CID 19626496) is N-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine is CCn1ccc(CNCc2ccsc2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is HRNASPHGLFOYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-14-5-3-11(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-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(1-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-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 19626496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).