4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide

C26H24N4O — CID 19397829

IUPAC4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1cnn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C26H24N4O/c31-26(14-6-9-20-15-27-25-13-4-3-12-24(20)25)29-22-16-28-30(18-22)17-21-10-5-8-19-7-1-2-11-23(19)21/h1-5,7-8,10-13,15-16,18,27H,6,9,14,17H2,(H,29,31)
InChIKeyQLMYAYOFYXDWFK-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.53
Rot. Bonds7

About 4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide

4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide (PubChem CID 19397829) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
PubChem CID19397829
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1cnn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C26H24N4O/c31-26(14-6-9-20-15-27-25-13-4-3-12-24(20)25)29-22-16-28-30(18-22)17-21-10-5-8-19-7-1-2-11-23(19)21/h1-5,7-8,10-13,15-16,18,27H,6,9,14,17H2,(H,29,31)
InChIKeyQLMYAYOFYXDWFK-UHFFFAOYSA-N
XLogP5.53
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410084
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19394803
1-[3-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470628
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide
CID 126780952
3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
CID 19340671
4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide
CID 29371800
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide
CID 19285296
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19562021
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19515965

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide (CID 19397829) is 4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide is O=C(CCCc1c[nH]c2ccccc12)Nc1cnn(Cc2cccc3ccccc23)c1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide?
The InChIKey is QLMYAYOFYXDWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c31-26(14-6-9-20-15-27-25-13-4-3-12-24(20)25)29-22-16-28-30(18-22)17-21-10-5-8-19-7-1-2-11-23(19)21/h1-5,7-8,10-13,15-16,18,27H,6,9,14,17H2,(H,29,31).
What are the key properties of 4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide?
4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide has a molecular weight of 408.51 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 19397829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).