N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine

C11H15N3S — CID 65200220

IUPACN-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1cccs1
InChIInChI=1S/C11H15N3S/c1-3-12-11(10-5-4-8-15-10)9-6-7-14(2)13-9/h4-8,11-12H,3H2,1-2H3
InChIKeyAVSQAVQTJLQLCY-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.18
Rot. Bonds4

About N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine

N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 65200220) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine
PubChem CID65200220
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1cccs1
InChIInChI=1S/C11H15N3S/c1-3-12-11(10-5-4-8-15-10)9-6-7-14(2)13-9/h4-8,11-12H,3H2,1-2H3
InChIKeyAVSQAVQTJLQLCY-UHFFFAOYSA-N
XLogP2.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 78998285
N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 102803050
N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200482
N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135731
N-[thiadiazol-4-yl(thiophen-2-yl)methyl]ethanamine
CID 105100443
N-[(1-methylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 65200804
N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135400
N-[(1-methylpyrazol-3-yl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 103135601
N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine
CID 105100657
N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65200285
N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200592
N-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine
CID 114269412

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine (CID 65200220) is N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine is CCNC(c1ccn(C)n1)c1cccs1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is AVSQAVQTJLQLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-12-11(10-5-4-8-15-10)9-6-7-14(2)13-9/h4-8,11-12H,3H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine?
N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 221.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 65200220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).