3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine

C18H20IN3O — CID 2742755

IUPAC3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine
SMILESCc1oc(C(C)(C)C)cc1-c1cc(N)n(-c2ccc(I)cc2)n1
InChIInChI=1S/C18H20IN3O/c1-11-14(9-16(23-11)18(2,3)4)15-10-17(20)22(21-15)13-7-5-12(19)6-8-13/h5-10H,20H2,1-4H3
InChIKeyURTHPMDKUQJZMZ-UHFFFAOYSA-N
MW421.28 g/mol
LogP4.93
Rot. Bonds2

About 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine

3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine (PubChem CID 2742755) has the molecular formula C18H20IN3O and a molecular weight of 421.28 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine
PubChem CID2742755
Molecular FormulaC18H20IN3O
Molecular Weight421.28 g/mol
Exact Mass421.07
IUPAC Name3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine
SMILESCc1oc(C(C)(C)C)cc1-c1cc(N)n(-c2ccc(I)cc2)n1
InChIInChI=1S/C18H20IN3O/c1-11-14(9-16(23-11)18(2,3)4)15-10-17(20)22(21-15)13-7-5-12(19)6-8-13/h5-10H,20H2,1-4H3
InChIKeyURTHPMDKUQJZMZ-UHFFFAOYSA-N
XLogP4.93
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(5-Tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine
CID 44526652
Methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate
CID 162665882
N-{3-[5-(tert-butyl)-2-methyl-3-furyl]-1-methyl-1H-pyrazol-5-yl}-2-methylbenzamide
CID 2742277
1-[2-[3,5-Bis(trifluoromethyl)phenyl]-5-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-3-yl]-3-(2-cyanophenyl)urea
CID 2742776
1-[2-[3,5-Bis(trifluoromethyl)phenyl]-5-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2742777
3-(Furan-2-yl)-1-(4-propan-2-ylphenyl)pyrazol-5-amine
CID 162668421
3-(3-Methyl-1-benzofuran-2-yl)-1-phenylpyrazol-5-amine
CID 44224986
2-(3,5-dimethylphenyl)-5-(furan-2-yl)-2,3-dihydro-1H-pyrazol-3-imine
CID 16770114
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-amine
CID 2742754
N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide
CID 2742798
N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide
CID 2742261
4-[5-Amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
CID 2742753

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine?
The IUPAC name of 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine (CID 2742755) is 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine?
The canonical SMILES for 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine is Cc1oc(C(C)(C)C)cc1-c1cc(N)n(-c2ccc(I)cc2)n1.
What is the InChIKey of 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine?
The InChIKey is URTHPMDKUQJZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20IN3O/c1-11-14(9-16(23-11)18(2,3)4)15-10-17(20)22(21-15)13-7-5-12(19)6-8-13/h5-10H,20H2,1-4H3.
What are the key properties of 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine?
3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine has a molecular weight of 421.28 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine is sourced from PubChem (CID 2742755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).