1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine

C13H18ClN3S — CID 114649430

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine
SMILESCCCn1ncc(Cl)c1C(Cc1cccs1)NC
InChIInChI=1S/C13H18ClN3S/c1-3-6-17-13(11(14)9-16-17)12(15-2)8-10-5-4-7-18-10/h4-5,7,9,12,15H,3,6,8H2,1-2H3
InChIKeyBBFHGDGUULPZJS-UHFFFAOYSA-N
MW283.83 g/mol
LogP3.51
Rot. Bonds6

About 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine

1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 114649430) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine
PubChem CID114649430
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine
SMILESCCCn1ncc(Cl)c1C(Cc1cccs1)NC
InChIInChI=1S/C13H18ClN3S/c1-3-6-17-13(11(14)9-16-17)12(15-2)8-10-5-4-7-18-10/h4-5,7,9,12,15H,3,6,8H2,1-2H3
InChIKeyBBFHGDGUULPZJS-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647354
[1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211988
1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 105042448
[(4-chloro-1-propylpyrazol-5-yl)-thiophen-2-ylmethyl]hydrazine
CID 105193576
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184130
1-(4-chloro-1-propylpyrazol-5-yl)-N-methylbut-3-en-1-amine
CID 114660818
1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 114649703
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 105183296
N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine
CID 105148145
1-(1-benzothiophen-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042658
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114649429
N-[1-(4-chloro-1-propylpyrazol-5-yl)-2-phenylethyl]propan-1-amine
CID 114647095

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine (CID 114649430) is 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine is CCCn1ncc(Cl)c1C(Cc1cccs1)NC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is BBFHGDGUULPZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S/c1-3-6-17-13(11(14)9-16-17)12(15-2)8-10-5-4-7-18-10/h4-5,7,9,12,15H,3,6,8H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine?
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 283.83 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 114649430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).