3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol

C17H25N3OS — CID 45224137

IUPAC3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol
SMILESCc1ccc(-c2cc(CN3CCCCC3CCCO)[nH]n2)s1
InChIInChI=1S/C17H25N3OS/c1-13-7-8-17(22-13)16-11-14(18-19-16)12-20-9-3-2-5-15(20)6-4-10-21/h7-8,11,15,21H,2-6,9-10,12H2,1H3,(H,18,19)
InChIKeyDMJSNGQTGYIUMO-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.57
Rot. Bonds6

About 3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol

3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol (PubChem CID 45224137) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol
PubChem CID45224137
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol
SMILESCc1ccc(-c2cc(CN3CCCCC3CCCO)[nH]n2)s1
InChIInChI=1S/C17H25N3OS/c1-13-7-8-17(22-13)16-11-14(18-19-16)12-20-9-3-2-5-15(20)6-4-10-21/h7-8,11,15,21H,2-6,9-10,12H2,1H3,(H,18,19)
InChIKeyDMJSNGQTGYIUMO-UHFFFAOYSA-N
XLogP3.57
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 63021532
3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 80609340
3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol
CID 74230838
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 62468314
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 111462081
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
4-[2-[(2S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol
CID 99956649
3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol
CID 55076018
3-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 65321407
3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076067
3-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 63984159
4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 55076314

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol (CID 45224137) is 3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol is Cc1ccc(-c2cc(CN3CCCCC3CCCO)[nH]n2)s1.
What is the InChIKey of 3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol?
The InChIKey is DMJSNGQTGYIUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-13-7-8-17(22-13)16-11-14(18-19-16)12-20-9-3-2-5-15(20)6-4-10-21/h7-8,11,15,21H,2-6,9-10,12H2,1H3,(H,18,19).
What are the key properties of 3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol?
3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol has a molecular weight of 319.47 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-(5-methylthiophen-2-yl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]propan-1-ol is sourced from PubChem (CID 45224137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).