4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide

C23H24N4O2 — CID 19410084

IUPAC4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
SMILESCOc1cccc(Cn2cc(NC(=O)CCCc3c[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C23H24N4O2/c1-29-20-8-4-6-17(12-20)15-27-16-19(14-25-27)26-23(28)11-5-7-18-13-24-22-10-3-2-9-21(18)22/h2-4,6,8-10,12-14,16,24H,5,7,11,15H2,1H3,(H,26,28)
InChIKeyFZBXUNLMBBYQOP-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.38
Rot. Bonds8

About 4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide

4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide (PubChem CID 19410084) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
PubChem CID19410084
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
SMILESCOc1cccc(Cn2cc(NC(=O)CCCc3c[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C23H24N4O2/c1-29-20-8-4-6-17(12-20)15-27-16-19(14-25-27)26-23(28)11-5-7-18-13-24-22-10-3-2-9-21(18)22/h2-4,6,8-10,12-14,16,24H,5,7,11,15H2,1H3,(H,26,28)
InChIKeyFZBXUNLMBBYQOP-UHFFFAOYSA-N
XLogP4.38
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide
CID 19410910
4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
CID 19397829
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410275
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide
CID 35521519
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 19447912
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559692
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
2-(3-methoxyphenyl)ethyl 4-(1H-indol-3-yl)butanedithioate
CID 58171051
3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19544076
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000852

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide (CID 19410084) is 4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide is COc1cccc(Cn2cc(NC(=O)CCCc3c[nH]c4ccccc34)cn2)c1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide?
The InChIKey is FZBXUNLMBBYQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-29-20-8-4-6-17(12-20)15-27-16-19(14-25-27)26-23(28)11-5-7-18-13-24-22-10-3-2-9-21(18)22/h2-4,6,8-10,12-14,16,24H,5,7,11,15H2,1H3,(H,26,28).
What are the key properties of 4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide?
4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide has a molecular weight of 388.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide is sourced from PubChem (CID 19410084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).