N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine

C14H17F2N3O — CID 43547172

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H17F2N3O/c1-8(17-13-9(2)18-19-10(13)3)11-5-4-6-12(7-11)20-14(15)16/h4-8,14,17H,1-3H3,(H,18,19)
InChIKeyMOPYZYLUOZJSPR-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.80
Rot. Bonds5

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43547172) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43547172
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H17F2N3O/c1-8(17-13-9(2)18-19-10(13)3)11-5-4-6-12(7-11)20-14(15)16/h4-8,14,17H,1-3H3,(H,18,19)
InChIKeyMOPYZYLUOZJSPR-UHFFFAOYSA-N
XLogP3.80
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-Methoxyphenyl)-5-(Trifluoromethyl)-1h-Pyrazole
CID 22352557
1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209864
1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601341
5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 54594703
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine
CID 47621649
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 56817430
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 71940321
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 71940326
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]propanamide
CID 42686882
N-[[3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]-N-methylmethanamine
CID 279934
US11306096, Example 40
CID 130431112
{[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]methyl}(methyl)amine
CID 84127067

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 43547172) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is MOPYZYLUOZJSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-8(17-13-9(2)18-19-10(13)3)11-5-4-6-12(7-11)20-14(15)16/h4-8,14,17H,1-3H3,(H,18,19).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 281.31 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43547172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).