5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine

C14H17N3S — CID 79941808

IUPAC5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine
SMILESCC1CC(Nc2ccc(-n3cccn3)cc2)CS1
InChIInChI=1S/C14H17N3S/c1-11-9-13(10-18-11)16-12-3-5-14(6-4-12)17-8-2-7-15-17/h2-8,11,13,16H,9-10H2,1H3
InChIKeyNCRZETDKCDCFSI-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.18
Rot. Bonds3

About 5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine

5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine (PubChem CID 79941808) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine
PubChem CID79941808
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine
SMILESCC1CC(Nc2ccc(-n3cccn3)cc2)CS1
InChIInChI=1S/C14H17N3S/c1-11-9-13(10-18-11)16-12-3-5-14(6-4-12)17-8-2-7-15-17/h2-8,11,13,16H,9-10H2,1H3
InChIKeyNCRZETDKCDCFSI-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline
CID 104860198
N-(5-methylthiolan-3-yl)-1H-indazol-6-amine
CID 79941917
N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309349
N-(4-butylphenyl)-5-methylthiolan-3-amine
CID 79942068
1-methyl-5-[(5-methylthiolan-3-yl)amino]pyridin-2-one
CID 79950791
N-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine
CID 64750963
3-fluoro-N-(5-methylthiolan-3-yl)pyridin-2-amine
CID 127017123
2-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine
CID 79950690
N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43688255
2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977154
tert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate
CID 113227108
5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 59861681

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine?
The IUPAC name of 5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine (CID 79941808) is 5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine?
The canonical SMILES for 5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine is CC1CC(Nc2ccc(-n3cccn3)cc2)CS1.
What is the InChIKey of 5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine?
The InChIKey is NCRZETDKCDCFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11-9-13(10-18-11)16-12-3-5-14(6-4-12)17-8-2-7-15-17/h2-8,11,13,16H,9-10H2,1H3.
What are the key properties of 5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine?
5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine has a molecular weight of 259.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine is sourced from PubChem (CID 79941808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).