1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine

C12H16ClN3S — CID 105183708

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine
SMILESCC(C)n1ncc(Cl)c1C(N)Cc1ccsc1
InChIInChI=1S/C12H16ClN3S/c1-8(2)16-12(10(13)6-15-16)11(14)5-9-3-4-17-7-9/h3-4,6-8,11H,5,14H2,1-2H3
InChIKeyFRQUIERDSNUFJC-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.42
Rot. Bonds4

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine (PubChem CID 105183708) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine
PubChem CID105183708
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine
SMILESCC(C)n1ncc(Cl)c1C(N)Cc1ccsc1
InChIInChI=1S/C12H16ClN3S/c1-8(2)16-12(10(13)6-15-16)11(14)5-9-3-4-17-7-9/h3-4,6-8,11H,5,14H2,1-2H3
InChIKeyFRQUIERDSNUFJC-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 114649247
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine
CID 114648271
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine
CID 114655949
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine
CID 105041731
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105183136
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol
CID 105127306
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 164658431
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine
CID 105041781
(3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041950
(2-chloro-4-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 106858641
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
CID 114646229

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine (CID 105183708) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine is CC(C)n1ncc(Cl)c1C(N)Cc1ccsc1.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine?
The InChIKey is FRQUIERDSNUFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-8(2)16-12(10(13)6-15-16)11(14)5-9-3-4-17-7-9/h3-4,6-8,11H,5,14H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine has a molecular weight of 269.80 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 105183708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).