1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine

C14H17ClFN3 — CID 114648271

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine
SMILESCC(C)n1ncc(Cl)c1C(N)Cc1cccc(F)c1
InChIInChI=1S/C14H17ClFN3/c1-9(2)19-14(12(15)8-18-19)13(17)7-10-4-3-5-11(16)6-10/h3-6,8-9,13H,7,17H2,1-2H3
InChIKeySUFABFQVZHVJCO-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.50
Rot. Bonds4

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine (PubChem CID 114648271) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine
PubChem CID114648271
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine
SMILESCC(C)n1ncc(Cl)c1C(N)Cc1cccc(F)c1
InChIInChI=1S/C14H17ClFN3/c1-9(2)19-14(12(15)8-18-19)13(17)7-10-4-3-5-11(16)6-10/h3-6,8-9,13H,7,17H2,1-2H3
InChIKeySUFABFQVZHVJCO-UHFFFAOYSA-N
XLogP3.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 114648285
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-thiophen-3-ylethanamine
CID 105183708
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
CID 114643064
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine
CID 114655949
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol
CID 114643059
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105209054
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanamine
CID 114648281
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 61079265
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
CID 114646229
(2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041728
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine (CID 114648271) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine is CC(C)n1ncc(Cl)c1C(N)Cc1cccc(F)c1.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is SUFABFQVZHVJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-9(2)19-14(12(15)8-18-19)13(17)7-10-4-3-5-11(16)6-10/h3-6,8-9,13H,7,17H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine has a molecular weight of 281.76 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 114648271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).