N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine

C13H15F2N3O — CID 43534917

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine
SMILESCC(Nc1cnn(C)c1)c1ccccc1OC(F)F
InChIInChI=1S/C13H15F2N3O/c1-9(17-10-7-16-18(2)8-10)11-5-3-4-6-12(11)19-13(14)15/h3-9,13,17H,1-2H3
InChIKeyIRQMWQDUURYRFF-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.19
Rot. Bonds5

About N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine (PubChem CID 43534917) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine
PubChem CID43534917
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine
SMILESCC(Nc1cnn(C)c1)c1ccccc1OC(F)F
InChIInChI=1S/C13H15F2N3O/c1-9(17-10-7-16-18(2)8-10)11-5-3-4-6-12(11)19-13(14)15/h3-9,13,17H,1-2H3
InChIKeyIRQMWQDUURYRFF-UHFFFAOYSA-N
XLogP3.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxybenzyl N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate
CID 5124247
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209918
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601323
1-(3-Methoxy-benzyl)-1H-pyrazol-4-ylamine
CID 6485350
3-(4-Methoxyphenyl)-1-phenyl-4-pyrazolamine
CID 2110942
5-(2-Methoxyphenyl)-1-methyl-1H-pyrazole
CID 21722232
4-Methoxy-3-pyrazol-1-ylmethyl-benzylamine
CID 3157815
1-(1-methyl-5-phenyl-1H-pyrazol-4-yl)-3-[2-(trifluoromethoxy) benzyl]urea
CID 117967938
US11026923, Example 63
CID 155773329
1-((4-methoxyphenyl)methyl)-1H-pyrazol-4-amine
CID 28373987
1-(2,2-difluoroethyl)-N-[4-methoxy-3-(methoxymethyl)benzyl]-1H-pyrazol-4-amine
CID 25247565
1-(2,2-difluoroethyl)-N-(4-methoxybenzyl)-1H-pyrazol-4-amine
CID 25247605

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine (CID 43534917) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine is CC(Nc1cnn(C)c1)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine?
The InChIKey is IRQMWQDUURYRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-9(17-10-7-16-18(2)8-10)11-5-3-4-6-12(11)19-13(14)15/h3-9,13,17H,1-2H3.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine has a molecular weight of 267.28 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 43534917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).