2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol

C19H23N3OS — CID 126803260

IUPAC2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol
SMILESCn1cc(CNCC(C)(CO)c2ccccc2)c(-c2cccs2)n1
InChIInChI=1S/C19H23N3OS/c1-19(14-23,16-7-4-3-5-8-16)13-20-11-15-12-22(2)21-18(15)17-9-6-10-24-17/h3-10,12,20,23H,11,13-14H2,1-2H3
InChIKeyUYLUHHGPJWJCTJ-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.19
Rot. Bonds7

About 2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol

2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol (PubChem CID 126803260) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol
PubChem CID126803260
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol
SMILESCn1cc(CNCC(C)(CO)c2ccccc2)c(-c2cccs2)n1
InChIInChI=1S/C19H23N3OS/c1-19(14-23,16-7-4-3-5-8-16)13-20-11-15-12-22(2)21-18(15)17-9-6-10-24-17/h3-10,12,20,23H,11,13-14H2,1-2H3
InChIKeyUYLUHHGPJWJCTJ-UHFFFAOYSA-N
XLogP3.19
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]methanamine
CID 20886134
2-[ethyl-[3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122042755
[3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 167941077
methyl 2-[(4-ethoxyphenyl)methyl]-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]propanoate
CID 75450537
3-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]butan-1-ol
CID 111436843
N-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 27654624
N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349702
2-methyl-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 119128606
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 83092687
5-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol
CID 111467891
N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285175
1-(4-phenylphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]ethanol
CID 167756896

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol?
The IUPAC name of 2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol (CID 126803260) is 2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol is Cn1cc(CNCC(C)(CO)c2ccccc2)c(-c2cccs2)n1.
What is the InChIKey of 2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol?
The InChIKey is UYLUHHGPJWJCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-19(14-23,16-7-4-3-5-8-16)13-20-11-15-12-22(2)21-18(15)17-9-6-10-24-17/h3-10,12,20,23H,11,13-14H2,1-2H3.
What are the key properties of 2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol?
2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol has a molecular weight of 341.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]-2-phenylpropan-1-ol is sourced from PubChem (CID 126803260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).