N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide

C19H23ClN4O — CID 46978356

IUPACN-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCCc2cn(C)c3ccc(Cl)cc23)n1
InChIInChI=1S/C19H23ClN4O/c1-12-9-13(2)24(22-12)14(3)19(25)21-8-7-15-11-23(4)18-6-5-16(20)10-17(15)18/h5-6,9-11,14H,7-8H2,1-4H3,(H,21,25)
InChIKeyFQGWWVPCSFVQTC-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.56
Rot. Bonds5

About N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide

N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 46978356) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID46978356
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCCc2cn(C)c3ccc(Cl)cc23)n1
InChIInChI=1S/C19H23ClN4O/c1-12-9-13(2)24(22-12)14(3)19(25)21-8-7-15-11-23(4)18-6-5-16(20)10-17(15)18/h5-6,9-11,14H,7-8H2,1-4H3,(H,21,25)
InChIKeyFQGWWVPCSFVQTC-UHFFFAOYSA-N
XLogP3.56
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide
CID 46971540
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CID 95621264
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 96534724
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 131935802
1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 137362815
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 95630274
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472022
(3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693192
N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide (CID 46978356) is N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(C(C)C(=O)NCCc2cn(C)c3ccc(Cl)cc23)n1.
What is the InChIKey of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is FQGWWVPCSFVQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-12-9-13(2)24(22-12)14(3)19(25)21-8-7-15-11-23(4)18-6-5-16(20)10-17(15)18/h5-6,9-11,14H,7-8H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 358.87 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 46978356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).