N-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine

C15H19N3S — CID 103902666

IUPACN-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine
SMILESCC(NC1CCSC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H19N3S/c1-12(17-14-7-8-19-11-14)13-9-16-18(10-13)15-5-3-2-4-6-15/h2-6,9-10,12,14,17H,7-8,11H2,1H3
InChIKeyZXAQOIVHIAAEGN-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine

N-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine (PubChem CID 103902666) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine
PubChem CID103902666
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine
SMILESCC(NC1CCSC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H19N3S/c1-12(17-14-7-8-19-11-14)13-9-16-18(10-13)15-5-3-2-4-6-15/h2-6,9-10,12,14,17H,7-8,11H2,1H3
InChIKeyZXAQOIVHIAAEGN-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 81473453
(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
CID 81473468
N-(oxolan-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81328589
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034
4-[bromo(cyclopropyl)methyl]-1-phenylpyrazole
CID 61095952
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid
CID 43754555
N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,4-dithiepan-6-amine
CID 45178896
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine?
The IUPAC name of N-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine (CID 103902666) is N-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine is CC(NC1CCSC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine?
The InChIKey is ZXAQOIVHIAAEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-12(17-14-7-8-19-11-14)13-9-16-18(10-13)15-5-3-2-4-6-15/h2-6,9-10,12,14,17H,7-8,11H2,1H3.
What are the key properties of N-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine?
N-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine has a molecular weight of 273.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 103902666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).