(1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol

C15H23N3OS — CID 97249768

IUPAC(1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCc1nn(C)c(C)c1CN[C@@H](C)C[C@@H](O)c1cccs1
InChIInChI=1S/C15H23N3OS/c1-10(8-14(19)15-6-5-7-20-15)16-9-13-11(2)17-18(4)12(13)3/h5-7,10,14,16,19H,8-9H2,1-4H3/t10-,14+/m0/s1
InChIKeyFITZRJRLSHTALU-IINYFYTJSA-N
MW293.44 g/mol
LogP2.70
Rot. Bonds6

About (1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol

(1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol (PubChem CID 97249768) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is (1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
PubChem CID97249768
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name(1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCc1nn(C)c(C)c1CN[C@@H](C)C[C@@H](O)c1cccs1
InChIInChI=1S/C15H23N3OS/c1-10(8-14(19)15-6-5-7-20-15)16-9-13-11(2)17-18(4)12(13)3/h5-7,10,14,16,19H,8-9H2,1-4H3/t10-,14+/m0/s1
InChIKeyFITZRJRLSHTALU-IINYFYTJSA-N
XLogP2.70
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol with MolForge

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Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide
CID 110028148
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 84595105
(1R,3R)-3-[(5-methyl-2-pyridinyl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 97329293
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 79254884
1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 43180580
1-(4-bromophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 43695533
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 79236312
4-(3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
CID 79230814
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol
CID 61246554
3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol
CID 86781542
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050711
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111783891

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of (1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol (CID 97249768) is (1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for (1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for (1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol is Cc1nn(C)c(C)c1CN[C@@H](C)C[C@@H](O)c1cccs1.
What is the InChIKey of (1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
The InChIKey is FITZRJRLSHTALU-IINYFYTJSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10(8-14(19)15-6-5-7-20-15)16-9-13-11(2)17-18(4)12(13)3/h5-7,10,14,16,19H,8-9H2,1-4H3/t10-,14+/m0/s1.
What are the key properties of (1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol?
(1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol has a molecular weight of 293.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 97249768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).