3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine

C16H21ClFN3 — CID 79432834

IUPAC3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1c(Cl)c(C)nn1C)c1ccc(F)cc1
InChIInChI=1S/C16H21ClFN3/c1-4-19-10-13(12-5-7-14(18)8-6-12)9-15-16(17)11(2)20-21(15)3/h5-8,13,19H,4,9-10H2,1-3H3
InChIKeyQIVLYKOVWLVVMG-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.46
Rot. Bonds6

About 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine

3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine (PubChem CID 79432834) has the molecular formula C16H21ClFN3 and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
PubChem CID79432834
Molecular FormulaC16H21ClFN3
Molecular Weight309.82 g/mol
Exact Mass309.14
IUPAC Name3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1c(Cl)c(C)nn1C)c1ccc(F)cc1
InChIInChI=1S/C16H21ClFN3/c1-4-19-10-13(12-5-7-14(18)8-6-12)9-15-16(17)11(2)20-21(15)3/h5-8,13,19H,4,9-10H2,1-3H3
InChIKeyQIVLYKOVWLVVMG-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine (CID 79432834) is 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine is CCNCC(Cc1c(Cl)c(C)nn1C)c1ccc(F)cc1.
What is the InChIKey of 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
The InChIKey is QIVLYKOVWLVVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3/c1-4-19-10-13(12-5-7-14(18)8-6-12)9-15-16(17)11(2)20-21(15)3/h5-8,13,19H,4,9-10H2,1-3H3.
What are the key properties of 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine has a molecular weight of 309.82 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 79432834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).