N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine

C12H17N3S — CID 134793265

IUPACN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)Cc1ccnn1C
InChIInChI=1S/C12H17N3S/c1-10(12-5-4-8-16-12)14(2)9-11-6-7-13-15(11)3/h4-8,10H,9H2,1-3H3
InChIKeyOJBCLMADHJKBAK-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.67
Rot. Bonds4

About N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 134793265) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID134793265
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)Cc1ccnn1C
InChIInChI=1S/C12H17N3S/c1-10(12-5-4-8-16-12)14(2)9-11-6-7-13-15(11)3/h4-8,10H,9H2,1-3H3
InChIKeyOJBCLMADHJKBAK-UHFFFAOYSA-N
XLogP2.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine (CID 134793265) is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine is CC(c1cccs1)N(C)Cc1ccnn1C.
What is the InChIKey of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is OJBCLMADHJKBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-10(12-5-4-8-16-12)14(2)9-11-6-7-13-15(11)3/h4-8,10H,9H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine?
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 134793265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).