1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine

C11H10ClN3O — CID 83868838

IUPAC1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine
SMILESNc1nn(-c2ccc(Cl)cc2)c2c1COC2
InChIInChI=1S/C11H10ClN3O/c12-7-1-3-8(4-2-7)15-10-6-16-5-9(10)11(13)14-15/h1-4H,5-6H2,(H2,13,14)
InChIKeyRNTRZUUWNVRYPS-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.14
Rot. Bonds1

About 1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine

1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine (PubChem CID 83868838) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine
PubChem CID83868838
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine
SMILESNc1nn(-c2ccc(Cl)cc2)c2c1COC2
InChIInChI=1S/C11H10ClN3O/c12-7-1-3-8(4-2-7)15-10-6-16-5-9(10)11(13)14-15/h1-4H,5-6H2,(H2,13,14)
InChIKeyRNTRZUUWNVRYPS-UHFFFAOYSA-N
XLogP2.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 83868840
[1-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
CID 83862221
4-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenol
CID 105469602
1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine
CID 79501505
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one
CID 105498313
4-amino-2-(4-chlorophenyl)pyridazin-3-one
CID 164662680
1-(5-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 107587248
1-cyclohexyl-4,6-dihydrofuro[3,4-d]pyrazol-3-amine
CID 105460780
1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 83868837
1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 102943085
1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine
CID 102942537

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine?
The IUPAC name of 1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine (CID 83868838) is 1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine?
The canonical SMILES for 1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine is Nc1nn(-c2ccc(Cl)cc2)c2c1COC2.
What is the InChIKey of 1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine?
The InChIKey is RNTRZUUWNVRYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-7-1-3-8(4-2-7)15-10-6-16-5-9(10)11(13)14-15/h1-4H,5-6H2,(H2,13,14).
What are the key properties of 1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine?
1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine has a molecular weight of 235.67 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine is sourced from PubChem (CID 83868838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).