N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide

C13H23N3OS — CID 91762094

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide
SMILESCCn1cc(CN(CC(C)C)C(=O)CSC)cn1
InChIInChI=1S/C13H23N3OS/c1-5-16-9-12(6-14-16)8-15(7-11(2)3)13(17)10-18-4/h6,9,11H,5,7-8,10H2,1-4H3
InChIKeyVBQHJENAYREUNJ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.25
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide

N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide (PubChem CID 91762094) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide
PubChem CID91762094
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide
SMILESCCn1cc(CN(CC(C)C)C(=O)CSC)cn1
InChIInChI=1S/C13H23N3OS/c1-5-16-9-12(6-14-16)8-15(7-11(2)3)13(17)10-18-4/h6,9,11H,5,7-8,10H2,1-4H3
InChIKeyVBQHJENAYREUNJ-UHFFFAOYSA-N
XLogP2.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-N-(2-methylpropyl)-1H-imidazole-2-carboxamide
CID 91792565
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 166408899
1-(1-ethylpyrazol-4-yl)-3-methylsulfanylpropan-2-one
CID 62691716
N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 91771803
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19619348
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 121496520
N-[(1-ethylpyrazol-4-yl)methyl]-N-(furan-3-ylmethyl)-2-methylpropan-1-amine
CID 46991462
2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065792
ethyl 3-[(1-ethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 55040533
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
CID 62126384
1,4-diethylpyrazole;ethane
CID 143641951
2-[2-methylpropyl-(2-methylsulfanylacetyl)amino]acetic acid
CID 62032636

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide (CID 91762094) is N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide is CCn1cc(CN(CC(C)C)C(=O)CSC)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide?
The InChIKey is VBQHJENAYREUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-16-9-12(6-14-16)8-15(7-11(2)3)13(17)10-18-4/h6,9,11H,5,7-8,10H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide has a molecular weight of 269.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 91762094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).