[1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol

C17H19ClN2O3 — CID 178148741

IUPAC[1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol
SMILESOCc1nn(Cc2ccccc2Cl)c2c1CCC1(C2)OCCO1
InChIInChI=1S/C17H19ClN2O3/c18-14-4-2-1-3-12(14)10-20-16-9-17(22-7-8-23-17)6-5-13(16)15(11-21)19-20/h1-4,21H,5-11H2
InChIKeySNQFSFOOGQBQCZ-UHFFFAOYSA-N
MW334.80 g/mol
LogP2.31
Rot. Bonds3

About [1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol

[1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol (PubChem CID 178148741) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is [1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol.

Molecular Properties

Compound Name[1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol
PubChem CID178148741
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name[1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol
SMILESOCc1nn(Cc2ccccc2Cl)c2c1CCC1(C2)OCCO1
InChIInChI=1S/C17H19ClN2O3/c18-14-4-2-1-3-12(14)10-20-16-9-17(22-7-8-23-17)6-5-13(16)15(11-21)19-20/h1-4,21H,5-11H2
InChIKeySNQFSFOOGQBQCZ-UHFFFAOYSA-N
XLogP2.31
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol with MolForge

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Related Compounds

8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 59186648
[1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol
CID 178148755
[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol
CID 82203375
3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 106474844
3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole
CID 66016107
CID 178148328
CID 178148328
[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
CID 115068574
[1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol
CID 66437255
[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol
CID 16769903
[1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol
CID 82203421
[5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109233896
[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94943250

Frequently Asked Questions

What is the IUPAC name of [1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol?
The IUPAC name of [1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol (CID 178148741) is [1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol.
What is the SMILES notation for [1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol?
The canonical SMILES for [1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol is OCc1nn(Cc2ccccc2Cl)c2c1CCC1(C2)OCCO1.
What is the InChIKey of [1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol?
The InChIKey is SNQFSFOOGQBQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c18-14-4-2-1-3-12(14)10-20-16-9-17(22-7-8-23-17)6-5-13(16)15(11-21)19-20/h1-4,21H,5-11H2.
What are the key properties of [1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol?
[1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol has a molecular weight of 334.80 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-indazole]-3'-yl]methanol is sourced from PubChem (CID 178148741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).