2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal

C23H23ClN4O2 — CID 134602979

IUPAC2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal
SMILESCn1ncc2ccc(-c3cc(COC(C)(C)C=O)nn3Cc3ccccc3Cl)cc21
InChIInChI=1S/C23H23ClN4O2/c1-23(2,15-29)30-14-19-11-22(16-8-9-17-12-25-27(3)21(17)10-16)28(26-19)13-18-6-4-5-7-20(18)24/h4-12,15H,13-14H2,1-3H3
InChIKeySGNUCADXAFCSRO-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.63
Rot. Bonds7

About 2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal

2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal (PubChem CID 134602979) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal.

Molecular Properties

Compound Name2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal
PubChem CID134602979
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal
SMILESCn1ncc2ccc(-c3cc(COC(C)(C)C=O)nn3Cc3ccccc3Cl)cc21
InChIInChI=1S/C23H23ClN4O2/c1-23(2,15-29)30-14-19-11-22(16-8-9-17-12-25-27(3)21(17)10-16)28(26-19)13-18-6-4-5-7-20(18)24/h4-12,15H,13-14H2,1-3H3
InChIKeySGNUCADXAFCSRO-UHFFFAOYSA-N
XLogP4.63
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal?
The IUPAC name of 2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal (CID 134602979) is 2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal.
What is the SMILES notation for 2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal?
The canonical SMILES for 2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal is Cn1ncc2ccc(-c3cc(COC(C)(C)C=O)nn3Cc3ccccc3Cl)cc21.
What is the InChIKey of 2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal?
The InChIKey is SGNUCADXAFCSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-23(2,15-29)30-14-19-11-22(16-8-9-17-12-25-27(3)21(17)10-16)28(26-19)13-18-6-4-5-7-20(18)24/h4-12,15H,13-14H2,1-3H3.
What are the key properties of 2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal?
2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal has a molecular weight of 422.92 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-6-yl)pyrazol-3-yl]methoxy]-2-methylpropanal is sourced from PubChem (CID 134602979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).