2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine

C15H19ClFN3 — CID 79225020

IUPAC2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nn(-c2ccc(Cl)c(F)c2)c1C
InChIInChI=1S/C15H19ClFN3/c1-9(8-18-4)15-10(2)19-20(11(15)3)12-5-6-13(16)14(17)7-12/h5-7,9,18H,8H2,1-4H3
InChIKeyDFPNKEKFFDXIFZ-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.60
Rot. Bonds4

About 2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine

2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine (PubChem CID 79225020) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
PubChem CID79225020
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nn(-c2ccc(Cl)c(F)c2)c1C
InChIInChI=1S/C15H19ClFN3/c1-9(8-18-4)15-10(2)19-20(11(15)3)12-5-6-13(16)14(17)7-12/h5-7,9,18H,8H2,1-4H3
InChIKeyDFPNKEKFFDXIFZ-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 114799034
3-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanoic acid
CID 79131283
2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 79225050
2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 79149652
N-[2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 79224678
1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 79149820
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79220349
N-ethyl-2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79218906
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79218757
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107891786
N-[2-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine
CID 79219858
2-(4-chloro-3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 107894529

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine (CID 79225020) is 2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine is CNCC(C)c1c(C)nn(-c2ccc(Cl)c(F)c2)c1C.
What is the InChIKey of 2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is DFPNKEKFFDXIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-9(8-18-4)15-10(2)19-20(11(15)3)12-5-6-13(16)14(17)7-12/h5-7,9,18H,8H2,1-4H3.
What are the key properties of 2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 295.79 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 79225020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).