1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole

C19H22N2O — CID 174525069

IUPAC1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole
SMILESCC[C@@H](c1ccccc1)n1ncc2cccc(OC(C)C)c21
InChIInChI=1S/C19H22N2O/c1-4-17(15-9-6-5-7-10-15)21-19-16(13-20-21)11-8-12-18(19)22-14(2)3/h5-14,17H,4H2,1-3H3/t17-/m0/s1
InChIKeyGSGJGOLCUNFPNL-KRWDZBQOSA-N
MW294.40 g/mol
LogP4.82
Rot. Bonds5

About 1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole

1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole (PubChem CID 174525069) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole.

Molecular Properties

Compound Name1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole
PubChem CID174525069
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole
SMILESCC[C@@H](c1ccccc1)n1ncc2cccc(OC(C)C)c21
InChIInChI=1S/C19H22N2O/c1-4-17(15-9-6-5-7-10-15)21-19-16(13-20-21)11-8-12-18(19)22-14(2)3/h5-14,17H,4H2,1-3H3/t17-/m0/s1
InChIKeyGSGJGOLCUNFPNL-KRWDZBQOSA-N
XLogP4.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1-[1-(4-fluorophenyl)propyl]indazole
CID 174511181
3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 58088581
N-ethyl-2-indazol-1-yl-2-phenylethanamine
CID 62448087
4-bromo-6-oxido-1-(1-phenylpropyl)pyrazolo[3,4-c]pyridin-6-ium
CID 123822215
5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole
CID 142348409
3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine
CID 58088507
3-indazol-1-yl-3-phenylpropanenitrile
CID 55117824
1-(1-phenylpropyl)tetrazol-5-amine
CID 79506714
2-[methoxy(phenyl)methyl]phthalazin-1-one
CID 172771685
N-(1-phenylpropyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54831184
3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine
CID 99784717
N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085558

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole?
The IUPAC name of 1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole (CID 174525069) is 1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole.
What is the SMILES notation for 1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole?
The canonical SMILES for 1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole is CC[C@@H](c1ccccc1)n1ncc2cccc(OC(C)C)c21.
What is the InChIKey of 1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole?
The InChIKey is GSGJGOLCUNFPNL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O/c1-4-17(15-9-6-5-7-10-15)21-19-16(13-20-21)11-8-12-18(19)22-14(2)3/h5-14,17H,4H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole?
1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole has a molecular weight of 294.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-phenylpropyl]-7-propan-2-yloxyindazole is sourced from PubChem (CID 174525069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).