N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine

C14H17F2N3 — CID 43204509

IUPACN-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC(C)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2N3/c1-8(12-7-11(15)5-6-13(12)16)17-14-9(2)18-19(4)10(14)3/h5-8,17H,1-4H3
InChIKeyDMMLLADVCJRTFM-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.49
Rot. Bonds3

About N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine

N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 43204509) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID43204509
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC(C)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2N3/c1-8(12-7-11(15)5-6-13(12)16)17-14-9(2)18-19(4)10(14)3/h5-8,17H,1-4H3
InChIKeyDMMLLADVCJRTFM-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.49
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]-1,3,5-trimethylpyrazol-4-amine
CID 43204543
N-[1-(2,5-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192587
N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43102776
1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105143859
1,3,5-trimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]pyrazol-4-amine
CID 43204496
(1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 129461360
(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8972361
N-[(2,5-difluorophenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63379067
1-(2,5-difluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 79578537
1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine
CID 43204472
1-(2,5-difluorophenyl)ethylhydrazine
CID 53402215

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine (CID 43204509) is N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine is Cc1nn(C)c(C)c1NC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is DMMLLADVCJRTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-8(12-7-11(15)5-6-13(12)16)17-14-9(2)18-19(4)10(14)3/h5-8,17H,1-4H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine?
N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 265.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 43204509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).