1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone

C20H18N4O2 — CID 157102936

IUPAC1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
SMILESCOc1ccc(Cn2cc(CC(=O)c3n[nH]c4ccccc34)cn2)cc1
InChIInChI=1S/C20H18N4O2/c1-26-16-8-6-14(7-9-16)12-24-13-15(11-21-24)10-19(25)20-17-4-2-3-5-18(17)22-23-20/h2-9,11,13H,10,12H2,1H3,(H,22,23)
InChIKeyAFYXSVVKALNKJQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.24
Rot. Bonds6

About 1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone

1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone (PubChem CID 157102936) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
PubChem CID157102936
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
SMILESCOc1ccc(Cn2cc(CC(=O)c3n[nH]c4ccccc34)cn2)cc1
InChIInChI=1S/C20H18N4O2/c1-26-16-8-6-14(7-9-16)12-24-13-15(11-21-24)10-19(25)20-17-4-2-3-5-18(17)22-23-20/h2-9,11,13H,10,12H2,1H3,(H,22,23)
InChIKeyAFYXSVVKALNKJQ-UHFFFAOYSA-N
XLogP3.24
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 52935059
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 52935715
N-[(3-methoxyphenyl)methyl]-N,1-dimethyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 57402100
N-1H-Indazol-5-yl-4-methoxybenzamide
CID 3348038
4-ethoxy-N-(1H-indazol-5-yl)benzamide
CID 6464232
N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57392519
N-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57394244
N-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57394245
N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57395998
1-(1H-indol-3-yl)-2-((3-methoxyphenyl)amino)-2-(pyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 86728689
Tetrahydro-benzodipyrazole deriv. 7j
CID 135403026
Tetrahydro-benzodipyrazole deriv. 7n
CID 135403030

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone?
The IUPAC name of 1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone (CID 157102936) is 1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone?
The canonical SMILES for 1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone is COc1ccc(Cn2cc(CC(=O)c3n[nH]c4ccccc34)cn2)cc1.
What is the InChIKey of 1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone?
The InChIKey is AFYXSVVKALNKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-26-16-8-6-14(7-9-16)12-24-13-15(11-21-24)10-19(25)20-17-4-2-3-5-18(17)22-23-20/h2-9,11,13H,10,12H2,1H3,(H,22,23).
What are the key properties of 1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone?
1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone has a molecular weight of 346.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-3-yl)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 157102936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).