N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine

C11H15N3S — CID 112669078

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine
SMILESCCc1nn(C)cc1CNc1ccsc1
InChIInChI=1S/C11H15N3S/c1-3-11-9(7-14(2)13-11)6-12-10-4-5-15-8-10/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyPUCHKPLFEVJQKT-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.66
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine (PubChem CID 112669078) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine
PubChem CID112669078
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine
SMILESCCc1nn(C)cc1CNc1ccsc1
InChIInChI=1S/C11H15N3S/c1-3-11-9(7-14(2)13-11)6-12-10-4-5-15-8-10/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyPUCHKPLFEVJQKT-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 112549346
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol
CID 112669125
2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]acetonitrile
CID 75499917
3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112549341
2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
CID 112549620
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline
CID 115989506
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 112549988
1-ethyl-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridin-2-one
CID 112668948
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 112549349
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-benzothiazol-6-amine
CID 103894044

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine (CID 112669078) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine is CCc1nn(C)cc1CNc1ccsc1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine?
The InChIKey is PUCHKPLFEVJQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-11-9(7-14(2)13-11)6-12-10-4-5-15-8-10/h4-5,7-8,12H,3,6H2,1-2H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine has a molecular weight of 221.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine is sourced from PubChem (CID 112669078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).