N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine

C11H11F2N3O — CID 43539926

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine
SMILESFC(F)Oc1ccccc1CNc1cn[nH]c1
InChIInChI=1S/C11H11F2N3O/c12-11(13)17-10-4-2-1-3-8(10)5-14-9-6-15-16-7-9/h1-4,6-7,11,14H,5H2,(H,15,16)
InChIKeyZPHFUVLKEYDRSP-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.62
Rot. Bonds5

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

N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine (PubChem CID 43539926) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine
PubChem CID43539926
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine
SMILESFC(F)Oc1ccccc1CNc1cn[nH]c1
InChIInChI=1S/C11H11F2N3O/c12-11(13)17-10-4-2-1-3-8(10)5-14-9-6-15-16-7-9/h1-4,6-7,11,14H,5H2,(H,15,16)
InChIKeyZPHFUVLKEYDRSP-UHFFFAOYSA-N
XLogP2.62
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209918
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209971
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601318
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601323
3-(2-Methoxyphenyl)-1H-pyrazole
CID 2736764
Pyrazole, 4-amino-5-(o-methoxyphenyl)-, hydrochloride
CID 13303418
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
1-(2,2-difluoroethyl)-N-(2-methoxybenzyl)-1H-pyrazol-4-amine
CID 25247606
1-(2,2-difluoroethyl)-N-(3-methoxybenzyl)-1H-pyrazol-4-amine
CID 25247615
(2R)-2-(2-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 97837286
N-(1H-pyrazol-4-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 137991501

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine (CID 43539926) is N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine is FC(F)Oc1ccccc1CNc1cn[nH]c1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine?
The InChIKey is ZPHFUVLKEYDRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-11(13)17-10-4-2-1-3-8(10)5-14-9-6-15-16-7-9/h1-4,6-7,11,14H,5H2,(H,15,16).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine has a molecular weight of 239.23 g/mol, XLogP of 2.62, 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]-1H-pyrazol-4-amine is sourced from PubChem (CID 43539926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).