N-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine

C14H17F2N3O — CID 63049353

IUPACN-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(-c2ccc(OC(F)F)cc2)[nH]n1
InChIInChI=1S/C14H17F2N3O/c1-14(2,3)17-12-8-11(18-19-12)9-4-6-10(7-5-9)20-13(15)16/h4-8,13H,1-3H3,(H2,17,18,19)
InChIKeyZBIDQZGPOIQNOH-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.89
Rot. Bonds4

About N-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine

N-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine (PubChem CID 63049353) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is N-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine
PubChem CID63049353
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC NameN-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(-c2ccc(OC(F)F)cc2)[nH]n1
InChIInChI=1S/C14H17F2N3O/c1-14(2,3)17-12-8-11(18-19-12)9-4-6-10(7-5-9)20-13(15)16/h4-8,13H,1-3H3,(H2,17,18,19)
InChIKeyZBIDQZGPOIQNOH-UHFFFAOYSA-N
XLogP3.89
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 63049199
N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
CID 55145179
N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79490434
N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
CID 59363907
2,2-dimethyl-N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]propane-1,3-diamine
CID 24954229
3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19514374
3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60841557
N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine
CID 63050056
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 19514167
5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine
CID 143937099
N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65288202
N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852920

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of N-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine (CID 63049353) is N-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for N-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for N-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine is CC(C)(C)Nc1cc(-c2ccc(OC(F)F)cc2)[nH]n1.
What is the InChIKey of N-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine?
The InChIKey is ZBIDQZGPOIQNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-14(2,3)17-12-8-11(18-19-12)9-4-6-10(7-5-9)20-13(15)16/h4-8,13H,1-3H3,(H2,17,18,19).
What are the key properties of N-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine?
N-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine has a molecular weight of 281.31 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 63049353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).