2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine

C17H27N3S — CID 80526622

IUPAC2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine
SMILESCCC(CC)n1ccc(CNCC(C)(C)c2cccs2)n1
InChIInChI=1S/C17H27N3S/c1-5-15(6-2)20-10-9-14(19-20)12-18-13-17(3,4)16-8-7-11-21-16/h7-11,15,18H,5-6,12-13H2,1-4H3
InChIKeyCNFNULKZFMIWKV-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.37
Rot. Bonds8

About 2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine

2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine (PubChem CID 80526622) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine
PubChem CID80526622
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine
SMILESCCC(CC)n1ccc(CNCC(C)(C)c2cccs2)n1
InChIInChI=1S/C17H27N3S/c1-5-15(6-2)20-10-9-14(19-20)12-18-13-17(3,4)16-8-7-11-21-16/h7-11,15,18H,5-6,12-13H2,1-4H3
InChIKeyCNFNULKZFMIWKV-UHFFFAOYSA-N
XLogP4.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 64800874
4-chloro-2,2-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 114148926
3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol
CID 106146536
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 64800130
2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 79032042
2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 78963637
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526354
2-methyl-N-(1H-pyrrol-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526029
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 78963459
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine
CID 66351054
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine (CID 80526622) is 2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine is CCC(CC)n1ccc(CNCC(C)(C)c2cccs2)n1.
What is the InChIKey of 2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine?
The InChIKey is CNFNULKZFMIWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-5-15(6-2)20-10-9-14(19-20)12-18-13-17(3,4)16-8-7-11-21-16/h7-11,15,18H,5-6,12-13H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine?
2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine has a molecular weight of 305.49 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 80526622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).