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

C25H22N4O — CID 19394803

IUPAC3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C25H22N4O/c30-25(13-12-19-16-26-23-11-4-3-10-22(19)23)27-24-14-15-29(28-24)17-20-8-5-7-18-6-1-2-9-21(18)20/h1-11,14-16,26H,12-13,17H2,(H,27,28,30)
InChIKeyIPSPCBYCAHRLMR-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.14
Rot. Bonds6

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

3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 19394803) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
PubChem CID19394803
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccn(Cc2cccc3ccccc23)n1
InChIInChI=1S/C25H22N4O/c30-25(13-12-19-16-26-23-11-4-3-10-22(19)23)27-24-14-15-29(28-24)17-20-8-5-7-18-6-1-2-9-21(18)20/h1-11,14-16,26H,12-13,17H2,(H,27,28,30)
InChIKeyIPSPCBYCAHRLMR-UHFFFAOYSA-N
XLogP5.14
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19406963
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide
CID 19285296
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide
CID 19284482
3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43068767
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605
4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
CID 19397829
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19286987
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19525858

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide (CID 19394803) is 3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1ccn(Cc2cccc3ccccc23)n1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?
The InChIKey is IPSPCBYCAHRLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c30-25(13-12-19-16-26-23-11-4-3-10-22(19)23)27-24-14-15-29(28-24)17-20-8-5-7-18-6-1-2-9-21(18)20/h1-11,14-16,26H,12-13,17H2,(H,27,28,30).
What are the key properties of 3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?
3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 394.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 19394803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).