N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine

C12H17N3S — CID 102803050

IUPACN-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)c1cn(C)nc1C
InChIInChI=1S/C12H17N3S/c1-4-13-12(11-6-5-7-16-11)10-8-15(3)14-9(10)2/h5-8,12-13H,4H2,1-3H3
InChIKeySRDXSIPDONRWNI-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.49
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine

N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 102803050) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
PubChem CID102803050
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)c1cn(C)nc1C
InChIInChI=1S/C12H17N3S/c1-4-13-12(11-6-5-7-16-11)10-8-15(3)14-9(10)2/h5-8,12-13H,4H2,1-3H3
InChIKeySRDXSIPDONRWNI-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804284
N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65200220
N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 102803470
(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine
CID 102803051
N-[(1,3-dimethylpyrazol-4-yl)-(3-fluorophenyl)methyl]ethanamine
CID 102803011
[(3-ethyl-1-methylpyrazol-4-yl)-thiophen-2-ylmethyl]hydrazine
CID 102813003
N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 102804517
N-[(2-iodo-3-methylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 114030052
N-[(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethyl]ethanamine
CID 102803545
N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 102803589
N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 102803704
N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490593

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine (CID 102803050) is N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine is CCNC(c1cccs1)c1cn(C)nc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is SRDXSIPDONRWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-13-12(11-6-5-7-16-11)10-8-15(3)14-9(10)2/h5-8,12-13H,4H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine?
N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 102803050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).