5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine

C19H18N4O — CID 139030485

IUPAC5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine
SMILESCOc1ccc(Cn2ccc3ccc(-c4cc(N)n[nH]4)cc32)cc1
InChIInChI=1S/C19H18N4O/c1-24-16-6-2-13(3-7-16)12-23-9-8-14-4-5-15(10-18(14)23)17-11-19(20)22-21-17/h2-11H,12H2,1H3,(H3,20,21,22)
InChIKeyOQIZQMWQHPDPIM-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.67
Rot. Bonds4

About 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine

5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine (PubChem CID 139030485) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine
PubChem CID139030485
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine
SMILESCOc1ccc(Cn2ccc3ccc(-c4cc(N)n[nH]4)cc32)cc1
InChIInChI=1S/C19H18N4O/c1-24-16-6-2-13(3-7-16)12-23-9-8-14-4-5-15(10-18(14)23)17-11-19(20)22-21-17/h2-11H,12H2,1H3,(H3,20,21,22)
InChIKeyOQIZQMWQHPDPIM-UHFFFAOYSA-N
XLogP3.67
TPSA68.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 11531673
6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 11596752
N-((1H-indol-4-yl)methyl)-6-(4-ethoxyphenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407192
N-(2-(5-Methoxyisoindolin-2-yl)-5-methylpyrimidin-4-yl)-1H-indazol-5-amine
CID 118437234
8-Methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135410215
4-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
CID 166551385
4-(4-phenoxyphenyl)-7-pyridin-2-yl-1H-pyrazolo[4,5-c]pyridin-3-amine
CID 69670555
N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 91669217
1-(4-ethoxyphenyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16190447
5-methoxy-N-(1-methylpiperidin-4-yl)-6-pyridin-4-yl-1H-indazol-3-amine
CID 166632248
5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
CID 166634007
3-[(E)-2-(3-methoxyphenyl)ethenyl]-6-pyridin-4-yl-1H-indazole
CID 22980665

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine (CID 139030485) is 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine is COc1ccc(Cn2ccc3ccc(-c4cc(N)n[nH]4)cc32)cc1.
What is the InChIKey of 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine?
The InChIKey is OQIZQMWQHPDPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-24-16-6-2-13(3-7-16)12-23-9-8-14-4-5-15(10-18(14)23)17-11-19(20)22-21-17/h2-11H,12H2,1H3,(H3,20,21,22).
What are the key properties of 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine?
5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine has a molecular weight of 318.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 139030485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).