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

C12H11F4N3O2 — CID 43539771

IUPACN-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine
SMILESFC(F)Oc1ccc(CNc2cn[nH]c2)c(OC(F)F)c1
InChIInChI=1S/C12H11F4N3O2/c13-11(14)20-9-2-1-7(10(3-9)21-12(15)16)4-17-8-5-18-19-6-8/h1-3,5-6,11-12,17H,4H2,(H,18,19)
InChIKeyFDGQCSYYYWJAHO-UHFFFAOYSA-N
MW305.23 g/mol
LogP3.22
Rot. Bonds7

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

N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine (PubChem CID 43539771) has the molecular formula C12H11F4N3O2 and a molecular weight of 305.23 g/mol. Its IUPAC name is N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine
PubChem CID43539771
Molecular FormulaC12H11F4N3O2
Molecular Weight305.23 g/mol
Exact Mass305.08
IUPAC NameN-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine
SMILESFC(F)Oc1ccc(CNc2cn[nH]c2)c(OC(F)F)c1
InChIInChI=1S/C12H11F4N3O2/c13-11(14)20-9-2-1-7(10(3-9)21-12(15)16)4-17-8-5-18-19-6-8/h1-3,5-6,11-12,17H,4H2,(H,18,19)
InChIKeyFDGQCSYYYWJAHO-UHFFFAOYSA-N
XLogP3.22
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-Dimethoxyphenyl)-1H-pyrazole
CID 15859649
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-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 126456909
N'-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117614889
N-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
CID 175096749
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 42528421
N-[[2-(difluoromethoxy)phenyl]methyl]-1-methylpyrazol-4-amine
CID 43534859
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
CID 43534981
1-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
CID 43534982
N-[[4-(difluoromethoxy)phenyl]methyl]-1-methylpyrazol-4-amine
CID 43535029

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine (CID 43539771) is N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine is FC(F)Oc1ccc(CNc2cn[nH]c2)c(OC(F)F)c1.
What is the InChIKey of N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine?
The InChIKey is FDGQCSYYYWJAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3O2/c13-11(14)20-9-2-1-7(10(3-9)21-12(15)16)4-17-8-5-18-19-6-8/h1-3,5-6,11-12,17H,4H2,(H,18,19).
What are the key properties of N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine?
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine has a molecular weight of 305.23 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43539771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).