4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine

C14H24BrN3S — CID 83195995

IUPAC4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine
SMILESCCNC1CSCC1Cc1c(Br)c(CC)nn1CC
InChIInChI=1S/C14H24BrN3S/c1-4-11-14(15)13(18(6-3)17-11)7-10-8-19-9-12(10)16-5-2/h10,12,16H,4-9H2,1-3H3
InChIKeyPCJYWOKLJPKQPS-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.11
Rot. Bonds6

About 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine

4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine (PubChem CID 83195995) has the molecular formula C14H24BrN3S and a molecular weight of 346.34 g/mol. Its IUPAC name is 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine.

Molecular Properties

Compound Name4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine
PubChem CID83195995
Molecular FormulaC14H24BrN3S
Molecular Weight346.34 g/mol
Exact Mass345.09
IUPAC Name4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine
SMILESCCNC1CSCC1Cc1c(Br)c(CC)nn1CC
InChIInChI=1S/C14H24BrN3S/c1-4-11-14(15)13(18(6-3)17-11)7-10-8-19-9-12(10)16-5-2/h10,12,16H,4-9H2,1-3H3
InChIKeyPCJYWOKLJPKQPS-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methylthiolan-3-amine
CID 83196932
4-bromo-5-[(4-bromothiolan-3-yl)methyl]-1,3-diethylpyrazole
CID 83190531
4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-propylthiolan-3-amine
CID 83196417
4-bromo-5-[(4-bromothiolan-3-yl)methyl]-3-ethyl-1-methylpyrazole
CID 83190191
[2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cycloheptyl]methanamine
CID 81011059
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine
CID 83196510
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol
CID 114451911
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
CID 106469313
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-one
CID 114451628
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-propylthiolan-3-amine
CID 83195582
N-[5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine
CID 79607034
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 80585526

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine?
The IUPAC name of 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine (CID 83195995) is 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine.
What is the SMILES notation for 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine?
The canonical SMILES for 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine is CCNC1CSCC1Cc1c(Br)c(CC)nn1CC.
What is the InChIKey of 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine?
The InChIKey is PCJYWOKLJPKQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3S/c1-4-11-14(15)13(18(6-3)17-11)7-10-8-19-9-12(10)16-5-2/h10,12,16H,4-9H2,1-3H3.
What are the key properties of 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine?
4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine has a molecular weight of 346.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine is sourced from PubChem (CID 83195995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).