N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine

C13H15F2N3O2 — CID 60810315

IUPACN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine
SMILESCOc1cccc(CNc2ccn(C)n2)c1OC(F)F
InChIInChI=1S/C13H15F2N3O2/c1-18-7-6-11(17-18)16-8-9-4-3-5-10(19-2)12(9)20-13(14)15/h3-7,13H,8H2,1-2H3,(H,16,17)
InChIKeyNPMUANHSMKMVRQ-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.64
Rot. Bonds6

About N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine

N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine (PubChem CID 60810315) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine
PubChem CID60810315
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC NameN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine
SMILESCOc1cccc(CNc2ccn(C)n2)c1OC(F)F
InChIInChI=1S/C13H15F2N3O2/c1-18-7-6-11(17-18)16-8-9-4-3-5-10(19-2)12(9)20-13(14)15/h3-7,13H,8H2,1-2H3,(H,16,17)
InChIKeyNPMUANHSMKMVRQ-UHFFFAOYSA-N
XLogP2.64
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine
CID 60809473
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine
CID 54921625
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-pyrazol-1-ylethanamine
CID 61071668
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 78883616
6-bromo-N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 122157326
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethylpentan-2-amine
CID 63842094
4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
CID 104646482
1-N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43406346
methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate
CID 43726123
N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine
CID 62392134
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine
CID 43627884
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 43406252

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine (CID 60810315) is N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine is COc1cccc(CNc2ccn(C)n2)c1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine?
The InChIKey is NPMUANHSMKMVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-18-7-6-11(17-18)16-8-9-4-3-5-10(19-2)12(9)20-13(14)15/h3-7,13H,8H2,1-2H3,(H,16,17).
What are the key properties of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine?
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine has a molecular weight of 283.28 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 60810315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).