2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol

C13H19N3OS — CID 114188500

IUPAC2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCCCn1nccc1CNCC(O)c1ccsc1
InChIInChI=1S/C13H19N3OS/c1-2-6-16-12(3-5-15-16)8-14-9-13(17)11-4-7-18-10-11/h3-5,7,10,13-14,17H,2,6,8-9H2,1H3
InChIKeyVXNBYLHLVFJRSQ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.18
Rot. Bonds7

About 2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol

2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 114188500) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol
PubChem CID114188500
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCCCn1nccc1CNCC(O)c1ccsc1
InChIInChI=1S/C13H19N3OS/c1-2-6-16-12(3-5-15-16)8-14-9-13(17)11-4-7-18-10-11/h3-5,7,10,13-14,17H,2,6,8-9H2,1H3
InChIKeyVXNBYLHLVFJRSQ-UHFFFAOYSA-N
XLogP2.18
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440437
N-[(2-methylpyrazol-3-yl)methyl]-2-thiophen-3-ylpropan-1-amine
CID 115671324
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
2-cyclopropyl-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 114556145
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol
CID 106435304
4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one
CID 106435813
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615846
2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol
CID 111440446

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol (CID 114188500) is 2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol is CCCn1nccc1CNCC(O)c1ccsc1.
What is the InChIKey of 2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is VXNBYLHLVFJRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-2-6-16-12(3-5-15-16)8-14-9-13(17)11-4-7-18-10-11/h3-5,7,10,13-14,17H,2,6,8-9H2,1H3.
What are the key properties of 2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol?
2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol has a molecular weight of 265.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 114188500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).