N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine

C13H19N3S — CID 115858472

IUPACN-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)s1)c1ccnn1C
InChIInChI=1S/C13H19N3S/c1-5-14-13(11-6-7-15-16(11)4)12-8-9(2)10(3)17-12/h6-8,13-14H,5H2,1-4H3
InChIKeyLDFFGCIZIVQANB-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.80
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine

N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 115858472) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID115858472
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)s1)c1ccnn1C
InChIInChI=1S/C13H19N3S/c1-5-14-13(11-6-7-15-16(11)4)12-8-9(2)10(3)17-12/h6-8,13-14H,5H2,1-4H3
InChIKeyLDFFGCIZIVQANB-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 65237749
N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858831
N-[(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 107503811
N-[(2,4-difluoro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858665
N-[(5-fluoro-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63960984
N-[(4,5-dimethylthiophen-2-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine
CID 114213501
N-[(2-methylpyrazol-3-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105148600
N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 105115211
N-[(4,5-dibromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 80533963
N-[(2-chloro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106857640
N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine
CID 114755312
N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858558

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine (CID 115858472) is N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1cc(C)c(C)s1)c1ccnn1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is LDFFGCIZIVQANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-5-14-13(11-6-7-15-16(11)4)12-8-9(2)10(3)17-12/h6-8,13-14H,5H2,1-4H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 249.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 115858472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).