N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide

C22H20Cl2N4O — CID 19337105

IUPACN-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCc2c[nH]c3ccccc23)nn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N4O/c1-14-10-21(27-28(14)13-16-6-8-17(23)11-19(16)24)26-22(29)9-7-15-12-25-20-5-3-2-4-18(15)20/h2-6,8,10-12,25H,7,9,13H2,1H3,(H,26,27,29)
InChIKeyIQCBMVLMJGEFIT-UHFFFAOYSA-N
MW427.34 g/mol
LogP5.60
Rot. Bonds6

About N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide

N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 19337105) has the molecular formula C22H20Cl2N4O and a molecular weight of 427.34 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID19337105
Molecular FormulaC22H20Cl2N4O
Molecular Weight427.34 g/mol
Exact Mass426.10
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCc2c[nH]c3ccccc23)nn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N4O/c1-14-10-21(27-28(14)13-16-6-8-17(23)11-19(16)24)26-22(29)9-7-15-12-25-20-5-3-2-4-18(15)20/h2-6,8,10-12,25H,7,9,13H2,1H3,(H,26,27,29)
InChIKeyIQCBMVLMJGEFIT-UHFFFAOYSA-N
XLogP5.60
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.34
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19337383
3-(2,4-dichlorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 35681432
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-ethylbutanamide
CID 19337125
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19407183
2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337335
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19286987
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19406963
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide
CID 19285296
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]cyclohexanecarboxamide
CID 19337382

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide (CID 19337105) is N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide is Cc1cc(NC(=O)CCc2c[nH]c3ccccc23)nn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is IQCBMVLMJGEFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O/c1-14-10-21(27-28(14)13-16-6-8-17(23)11-19(16)24)26-22(29)9-7-15-12-25-20-5-3-2-4-18(15)20/h2-6,8,10-12,25H,7,9,13H2,1H3,(H,26,27,29).
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide?
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 427.34 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 19337105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).