[4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol

C11H19N3OS — CID 115882963

IUPAC[4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol
SMILESCN(Cc1ccn[nH]1)C1(CO)CCSCC1
InChIInChI=1S/C11H19N3OS/c1-14(8-10-2-5-12-13-10)11(9-15)3-6-16-7-4-11/h2,5,15H,3-4,6-9H2,1H3,(H,12,13)
InChIKeyOQXQRZVUXVXYQC-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.10
Rot. Bonds4

About [4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol

[4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol (PubChem CID 115882963) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is [4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol.

Molecular Properties

Compound Name[4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol
PubChem CID115882963
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name[4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol
SMILESCN(Cc1ccn[nH]1)C1(CO)CCSCC1
InChIInChI=1S/C11H19N3OS/c1-14(8-10-2-5-12-13-10)11(9-15)3-6-16-7-4-11/h2,5,15H,3-4,6-9H2,1H3,(H,12,13)
InChIKeyOQXQRZVUXVXYQC-UHFFFAOYSA-N
XLogP1.10
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol 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

[4-[furan-2-ylmethyl(methyl)amino]thian-4-yl]methanol
CID 115882955
N-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine
CID 172858580
1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
CID 115882823
1-(1H-pyrazol-5-ylmethyl)cyclopentan-1-ol
CID 57455640
5-fluoro-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine
CID 126786822
(1S,2R,6S)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]-6-phenoxycyclohexan-1-ol
CID 110146338
2-ethoxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 122156784
5-[(2-methyl-1,3-dithian-2-yl)methyl]-1H-pyrazole;hydrochloride
CID 134122075
prop-2-yn-1-ol;1H-pyrazol-5-ylmethanol
CID 158434279
3-[methyl(1H-pyrazol-5-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982759
4-(1H-pyrazol-5-ylmethyl)-1,4-thiazepane
CID 130978157
N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide
CID 154879911

Frequently Asked Questions

What is the IUPAC name of [4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol?
The IUPAC name of [4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol (CID 115882963) is [4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol.
What is the SMILES notation for [4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol?
The canonical SMILES for [4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol is CN(Cc1ccn[nH]1)C1(CO)CCSCC1.
What is the InChIKey of [4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol?
The InChIKey is OQXQRZVUXVXYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-14(8-10-2-5-12-13-10)11(9-15)3-6-16-7-4-11/h2,5,15H,3-4,6-9H2,1H3,(H,12,13).
What are the key properties of [4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol?
[4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol has a molecular weight of 241.36 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(1H-pyrazol-5-ylmethyl)amino]thian-4-yl]methanol is sourced from PubChem (CID 115882963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).