N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine

C14H17ClFN3 — CID 43204543

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H17ClFN3/c1-8(11-5-6-13(16)12(15)7-11)17-14-9(2)18-19(4)10(14)3/h5-8,17H,1-4H3
InChIKeyBTTDWQVWPHUOEM-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.00
Rot. Bonds3

About N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine

N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 43204543) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID43204543
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H17ClFN3/c1-8(11-5-6-13(16)12(15)7-11)17-14-9(2)18-19(4)10(14)3/h5-8,17H,1-4H3
InChIKeyBTTDWQVWPHUOEM-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768876
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82815461
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643726
N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43204509
4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 65469865
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 136558217
1,3,5-trimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]pyrazol-4-amine
CID 43204496
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline
CID 43122894
4-[1-(3-chloro-4-fluorophenyl)ethylamino]benzoic acid
CID 43321605
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107700001

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine (CID 43204543) is N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine is Cc1nn(C)c(C)c1NC(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is BTTDWQVWPHUOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-8(11-5-6-13(16)12(15)7-11)17-14-9(2)18-19(4)10(14)3/h5-8,17H,1-4H3.
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine?
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 281.76 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 43204543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).