N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine

C11H15N3S — CID 66351284

IUPACN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine
SMILESCCn1nc(C)cc1CNc1ccsc1
InChIInChI=1S/C11H15N3S/c1-3-14-11(6-9(2)13-14)7-12-10-4-5-15-8-10/h4-6,8,12H,3,7H2,1-2H3
InChIKeyJUXVPWIQSGFTKM-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.89
Rot. Bonds4

About N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine

N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine (PubChem CID 66351284) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine
PubChem CID66351284
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine
SMILESCCn1nc(C)cc1CNc1ccsc1
InChIInChI=1S/C11H15N3S/c1-3-14-11(6-9(2)13-14)7-12-10-4-5-15-8-10/h4-6,8,12H,3,7H2,1-2H3
InChIKeyJUXVPWIQSGFTKM-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine?
The IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine (CID 66351284) is N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine is CCn1nc(C)cc1CNc1ccsc1.
What is the InChIKey of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine?
The InChIKey is JUXVPWIQSGFTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-14-11(6-9(2)13-14)7-12-10-4-5-15-8-10/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine?
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine has a molecular weight of 221.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]thiophen-3-amine is sourced from PubChem (CID 66351284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).