N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine

C12H13F2N3 — CID 43543559

IUPACN-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NCc2ccc(F)cc2F)cn1
InChIInChI=1S/C12H13F2N3/c1-2-17-8-11(7-16-17)15-6-9-3-4-10(13)5-12(9)14/h3-5,7-8,15H,2,6H2,1H3
InChIKeyWLNWCXJSYDJUPI-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.79
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine

N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine (PubChem CID 43543559) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine
PubChem CID43543559
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NCc2ccc(F)cc2F)cn1
InChIInChI=1S/C12H13F2N3/c1-2-17-8-11(7-16-17)15-6-9-3-4-10(13)5-12(9)14/h3-5,7-8,15H,2,6H2,1H3
InChIKeyWLNWCXJSYDJUPI-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,4-difluorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931443
1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine
CID 175351355
tert-butyl N-[2-[[(1-ethylpyrazol-4-yl)amino]methyl]-4-fluorophenyl]carbamate
CID 136558664
1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 19625854
N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine
CID 54939751
2-[4-[(4-bromo-2-fluorophenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928870
4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690440
N,1-diethylpyrazol-4-amine
CID 43543394
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 55110682
N-(1-ethylpyrazol-4-yl)-3,5-difluoropyridin-2-amine
CID 112675617

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine (CID 43543559) is N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine is CCn1cc(NCc2ccc(F)cc2F)cn1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine?
The InChIKey is WLNWCXJSYDJUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-2-17-8-11(7-16-17)15-6-9-3-4-10(13)5-12(9)14/h3-5,7-8,15H,2,6H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine?
N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine has a molecular weight of 237.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine is sourced from PubChem (CID 43543559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).