2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine

C15H19N3S — CID 102671179

IUPAC2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine
SMILESCC1SCCC1Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H19N3S/c1-12-15(7-10-19-12)17-14-5-3-13(4-6-14)11-18-9-2-8-16-18/h2-6,8-9,12,15,17H,7,10-11H2,1H3
InChIKeyBUJVBQDIVQSCTA-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.24
Rot. Bonds4

About 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine

2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine (PubChem CID 102671179) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine
PubChem CID102671179
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine
SMILESCC1SCCC1Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H19N3S/c1-12-15(7-10-19-12)17-14-5-3-13(4-6-14)11-18-9-2-8-16-18/h2-6,8-9,12,15,17H,7,10-11H2,1H3
InChIKeyBUJVBQDIVQSCTA-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine
CID 54863506
N-[4-(pyrazol-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61308815
N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline
CID 104861739
4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106594322
N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79859948
3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine
CID 79461364
N-(2,2-dimethylcyclohexyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79834941
N-(3-ethylphenyl)-2-methylthiolan-3-amine
CID 102671024
N-[4-(pyrazol-1-ylmethyl)phenyl]oxepan-4-amine
CID 65081807
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
N-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline
CID 64761861
N-[3-(1,3-dithian-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 26129053

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine?
The IUPAC name of 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine (CID 102671179) is 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine?
The canonical SMILES for 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine is CC1SCCC1Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine?
The InChIKey is BUJVBQDIVQSCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-12-15(7-10-19-12)17-14-5-3-13(4-6-14)11-18-9-2-8-16-18/h2-6,8-9,12,15,17H,7,10-11H2,1H3.
What are the key properties of 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine?
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine has a molecular weight of 273.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine is sourced from PubChem (CID 102671179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).