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

C15H19ClFN3 — CID 114833904

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
SMILESCc1nn(C)c(Cl)c1CC(C)(N)Cc1ccc(F)cc1
InChIInChI=1S/C15H19ClFN3/c1-10-13(14(16)20(3)19-10)9-15(2,18)8-11-4-6-12(17)7-5-11/h4-7H,8-9,18H2,1-3H3
InChIKeyNTKULTICIDUTEV-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.02
Rot. Bonds4

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

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)-2-methylpropan-2-amine (PubChem CID 114833904) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
PubChem CID114833904
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
SMILESCc1nn(C)c(Cl)c1CC(C)(N)Cc1ccc(F)cc1
InChIInChI=1S/C15H19ClFN3/c1-10-13(14(16)20(3)19-10)9-15(2,18)8-11-4-6-12(17)7-5-11/h4-7H,8-9,18H2,1-3H3
InChIKeyNTKULTICIDUTEV-UHFFFAOYSA-N
XLogP3.02
TPSA43.84 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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 61413584
1-(4-fluorophenyl)-2-methyl-3-pyridin-4-ylpropan-2-amine
CID 114833720
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine
CID 113470810
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-fluoroaniline
CID 115584977
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833840
3-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592989
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 122165886
3-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-fluoroaniline
CID 103818410
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 60711401
N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine
CID 61422691

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)-2-methylpropan-2-amine (CID 114833904) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)-2-methylpropan-2-amine is Cc1nn(C)c(Cl)c1CC(C)(N)Cc1ccc(F)cc1.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
The InChIKey is NTKULTICIDUTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-10-13(14(16)20(3)19-10)9-15(2,18)8-11-4-6-12(17)7-5-11/h4-7H,8-9,18H2,1-3H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)-2-methylpropan-2-amine has a molecular weight of 295.79 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 114833904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).