(3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine

C15H19N3OS — CID 95149374

IUPAC(3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine
SMILESCOc1ccccc1-n1cc(CN[C@@H]2CCSC2)cn1
InChIInChI=1S/C15H19N3OS/c1-19-15-5-3-2-4-14(15)18-10-12(9-17-18)8-16-13-6-7-20-11-13/h2-5,9-10,13,16H,6-8,11H2,1H3/t13-/m1/s1
InChIKeyYUVZTQRGOWUTTR-CYBMUJFWSA-N
MW289.40 g/mol
LogP2.48
Rot. Bonds5

About (3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine

(3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine (PubChem CID 95149374) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine
PubChem CID95149374
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine
SMILESCOc1ccccc1-n1cc(CN[C@@H]2CCSC2)cn1
InChIInChI=1S/C15H19N3OS/c1-19-15-5-3-2-4-14(15)18-10-12(9-17-18)8-16-13-6-7-20-11-13/h2-5,9-10,13,16H,6-8,11H2,1H3/t13-/m1/s1
InChIKeyYUVZTQRGOWUTTR-CYBMUJFWSA-N
XLogP2.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
CID 28851098
1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea
CID 131915991
(3S)-N-[(3,4-dimethoxyphenyl)methyl]thiolan-3-amine
CID 28646937
8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane
CID 156609533
2,6-dimethoxy-4-[(thiolan-3-ylamino)methyl]phenol
CID 113260995
(3R)-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiolan-3-amine
CID 95135165
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 118792786
methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 90649934
N-[(2,4,5-trimethoxyphenyl)methyl]thiolan-3-amine
CID 103603314
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 131950435
N-[(4-phenylphenyl)methyl]thiolan-3-amine
CID 103701499
(9R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125176421

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine?
The IUPAC name of (3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine (CID 95149374) is (3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine.
What is the SMILES notation for (3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine?
The canonical SMILES for (3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine is COc1ccccc1-n1cc(CN[C@@H]2CCSC2)cn1.
What is the InChIKey of (3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine?
The InChIKey is YUVZTQRGOWUTTR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-19-15-5-3-2-4-14(15)18-10-12(9-17-18)8-16-13-6-7-20-11-13/h2-5,9-10,13,16H,6-8,11H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine?
(3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine has a molecular weight of 289.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine is sourced from PubChem (CID 95149374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).