N-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine

C13H15F2N3O — CID 43547237

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1ccccc1OC(F)F
InChIInChI=1S/C13H15F2N3O/c1-8-12(9(2)18-17-8)16-7-10-5-3-4-6-11(10)19-13(14)15/h3-6,13,16H,7H2,1-2H3,(H,17,18)
InChIKeyWWAKUOKCNQBBHN-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.24
Rot. Bonds5

About N-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43547237) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43547237
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1ccccc1OC(F)F
InChIInChI=1S/C13H15F2N3O/c1-8-12(9(2)18-17-8)16-7-10-5-3-4-6-11(10)19-13(14)15/h3-6,13,16H,7H2,1-2H3,(H,17,18)
InChIKeyWWAKUOKCNQBBHN-UHFFFAOYSA-N
XLogP3.24
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 43547237) is N-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NCc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is WWAKUOKCNQBBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-8-12(9(2)18-17-8)16-7-10-5-3-4-6-11(10)19-13(14)15/h3-6,13,16H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 267.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43547237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).