3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol

C20H19ClFN3O3 — CID 91155963

IUPAC3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol
SMILESCOc1cc2c3[nH][nH]c(Nc4ccc(F)c(Cl)c4)c-3cc2cc1OCCCO
InChIInChI=1S/C20H19ClFN3O3/c1-27-17-10-13-11(8-18(17)28-6-2-5-26)7-14-19(13)24-25-20(14)23-12-3-4-16(22)15(21)9-12/h3-4,7-10,23-26H,2,5-6H2,1H3
InChIKeyNRZKBYBYWKZSHZ-UHFFFAOYSA-N
MW403.84 g/mol
LogP4.91
Rot. Bonds7

About 3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol

3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol (PubChem CID 91155963) has the molecular formula C20H19ClFN3O3 and a molecular weight of 403.84 g/mol. Its IUPAC name is 3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol
PubChem CID91155963
Molecular FormulaC20H19ClFN3O3
Molecular Weight403.84 g/mol
Exact Mass403.11
IUPAC Name3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol
SMILESCOc1cc2c3[nH][nH]c(Nc4ccc(F)c(Cl)c4)c-3cc2cc1OCCCO
InChIInChI=1S/C20H19ClFN3O3/c1-27-17-10-13-11(8-18(17)28-6-2-5-26)7-14-19(13)24-25-20(14)23-12-3-4-16(22)15(21)9-12/h3-4,7-10,23-26H,2,5-6H2,1H3
InChIKeyNRZKBYBYWKZSHZ-UHFFFAOYSA-N
XLogP4.91
TPSA82.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 54.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
CID 90787776
3-[[3-[(2-chlorophenyl)methylamino]-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol
CID 90795983
N-(2,4-dichlorophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
CID 90889419
ethyl 4-[(6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-yl)amino]benzoate
CID 91022354
7-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-1-hydroxyheptan-2-one
CID 58172592
N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077498
N-(3-iodophenyl)-7-methoxy-6-phenylmethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
CID 90990929
6,7-dimethoxy-N-(3-propan-2-yloxyphenyl)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
CID 90836963
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
N-(3-chloro-4-fluorophenyl)-7-[3-(dibutylamino)propoxy]-6-methoxyquinolin-2-amine
CID 164899925
3-[[4-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]propan-1-ol
CID 155546160
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol?
The IUPAC name of 3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol (CID 91155963) is 3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol.
What is the SMILES notation for 3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol?
The canonical SMILES for 3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol is COc1cc2c3[nH][nH]c(Nc4ccc(F)c(Cl)c4)c-3cc2cc1OCCCO.
What is the InChIKey of 3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol?
The InChIKey is NRZKBYBYWKZSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O3/c1-27-17-10-13-11(8-18(17)28-6-2-5-26)7-14-19(13)24-25-20(14)23-12-3-4-16(22)15(21)9-12/h3-4,7-10,23-26H,2,5-6H2,1H3.
What are the key properties of 3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol?
3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol has a molecular weight of 403.84 g/mol, XLogP of 4.91, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-chloro-4-fluoroanilino)-7-methoxy-1,2-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol is sourced from PubChem (CID 91155963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).