4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine

C13H23N3S — CID 103004607

IUPAC4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1CCc1ccnn1C
InChIInChI=1S/C13H23N3S/c1-3-7-14-13-10-17-9-11(13)4-5-12-6-8-15-16(12)2/h6,8,11,13-14H,3-5,7,9-10H2,1-2H3
InChIKeyBZFCCUZKCCFBNX-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.08
Rot. Bonds6

About 4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine

4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine (PubChem CID 103004607) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine.

Molecular Properties

Compound Name4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine
PubChem CID103004607
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1CCc1ccnn1C
InChIInChI=1S/C13H23N3S/c1-3-7-14-13-10-17-9-11(13)4-5-12-6-8-15-16(12)2/h6,8,11,13-14H,3-5,7,9-10H2,1-2H3
InChIKeyBZFCCUZKCCFBNX-UHFFFAOYSA-N
XLogP2.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine
CID 103004598
3-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylcyclopentan-1-amine
CID 103015900
N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine
CID 83195896
2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 113442329
N-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 103004400
4-octyl-N-propylthiolan-3-amine
CID 83196109
4-(3,3-dimethylbutyl)-N-propylthiolan-3-amine
CID 83196626
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclopentan-1-ol
CID 103006299
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
CID 103005731
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-propylthiolan-3-amine
CID 83195582
N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]cycloheptyl]methyl]ethanamine
CID 103020025
1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104694957

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine?
The IUPAC name of 4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine (CID 103004607) is 4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine.
What is the SMILES notation for 4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine?
The canonical SMILES for 4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine is CCCNC1CSCC1CCc1ccnn1C.
What is the InChIKey of 4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine?
The InChIKey is BZFCCUZKCCFBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-7-14-13-10-17-9-11(13)4-5-12-6-8-15-16(12)2/h6,8,11,13-14H,3-5,7,9-10H2,1-2H3.
What are the key properties of 4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine?
4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine has a molecular weight of 253.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylthiolan-3-amine is sourced from PubChem (CID 103004607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).