(2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol

C14H19N3OS — CID 94391754

IUPAC(2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESC[C@@H]1c2ccsc2CCN1C[C@H](O)Cn1cccn1
InChIInChI=1S/C14H19N3OS/c1-11-13-4-8-19-14(13)3-7-16(11)9-12(18)10-17-6-2-5-15-17/h2,4-6,8,11-12,18H,3,7,9-10H2,1H3/t11-,12+/m1/s1
InChIKeyWJQZGKKNRYVILN-NEPJUHHUSA-N
MW277.39 g/mol
LogP1.92
Rot. Bonds4

About (2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol

(2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 94391754) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID94391754
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESC[C@@H]1c2ccsc2CCN1C[C@H](O)Cn1cccn1
InChIInChI=1S/C14H19N3OS/c1-11-13-4-8-19-14(13)3-7-16(11)9-12(18)10-17-6-2-5-15-17/h2,4-6,8,11-12,18H,3,7,9-10H2,1H3/t11-,12+/m1/s1
InChIKeyWJQZGKKNRYVILN-NEPJUHHUSA-N
XLogP1.92
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol (CID 94391754) is (2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol is C[C@@H]1c2ccsc2CCN1C[C@H](O)Cn1cccn1.
What is the InChIKey of (2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is WJQZGKKNRYVILN-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11-13-4-8-19-14(13)3-7-16(11)9-12(18)10-17-6-2-5-15-17/h2,4-6,8,11-12,18H,3,7,9-10H2,1H3/t11-,12+/m1/s1.
What are the key properties of (2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 277.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 94391754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).