1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine

C14H17ClFN3 — CID 62130026

IUPAC1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-n2nc(C)c(Cl)c2C)c(F)c1
InChIInChI=1S/C14H17ClFN3/c1-8(17-4)11-5-6-13(12(16)7-11)19-10(3)14(15)9(2)18-19/h5-8,17H,1-4H3
InChIKeyWBUUEXBBIZEAKC-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.56
Rot. Bonds3

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

1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine (PubChem CID 62130026) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine
PubChem CID62130026
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-n2nc(C)c(Cl)c2C)c(F)c1
InChIInChI=1S/C14H17ClFN3/c1-8(17-4)11-5-6-13(12(16)7-11)19-10(3)14(15)9(2)18-19/h5-8,17H,1-4H3
InChIKeyWBUUEXBBIZEAKC-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 4961800
(1R)-1-(3-chlorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44543088
(1S,3R)-N-((4-chloro-5-(3,5-difluorophenyl)-1-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45267505
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline
CID 4307928
N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(3,5-difluorophenyl)methanamine
CID 45881521
[4-[4-(4-Fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]methanamine
CID 155541368
N-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl)cyclopentanamine
CID 43406622
(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-propan-2-ylphenyl)methyl]cyclopent-2-en-1-amine
CID 25390085
4-[[[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]amino]methyl]-N,N-dimethylaniline
CID 40777668
(1S,4S)-4-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]cyclopent-2-en-1-amine
CID 40777786
(1S,4S)-N-benzyl-4-[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]cyclopent-2-en-1-amine
CID 40780373
(1S,4S)-4-[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]cyclopent-2-en-1-amine
CID 40780377

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine (CID 62130026) is 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine is CNC(C)c1ccc(-n2nc(C)c(Cl)c2C)c(F)c1.
What is the InChIKey of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine?
The InChIKey is WBUUEXBBIZEAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-8(17-4)11-5-6-13(12(16)7-11)19-10(3)14(15)9(2)18-19/h5-8,17H,1-4H3.
What are the key properties of 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine?
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine has a molecular weight of 281.76 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 62130026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).