N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide

C21H18Cl2N4O — CID 19407183

IUPACN-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1nn(Cc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C21H18Cl2N4O/c22-16-8-5-14(6-9-16)12-27-13-18(23)21(26-27)25-20(28)10-7-15-11-24-19-4-2-1-3-17(15)19/h1-6,8-9,11,13,24H,7,10,12H2,(H,25,26,28)
InChIKeyVWINKUVLBBESLD-UHFFFAOYSA-N
MW413.31 g/mol
LogP5.29
Rot. Bonds6

About N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide

N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 19407183) has the molecular formula C21H18Cl2N4O and a molecular weight of 413.31 g/mol. Its IUPAC name is N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID19407183
Molecular FormulaC21H18Cl2N4O
Molecular Weight413.31 g/mol
Exact Mass412.09
IUPAC NameN-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1nn(Cc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C21H18Cl2N4O/c22-16-8-5-14(6-9-16)12-27-13-18(23)21(26-27)25-20(28)10-7-15-11-24-19-4-2-1-3-17(15)19/h1-6,8-9,11,13,24H,7,10,12H2,(H,25,26,28)
InChIKeyVWINKUVLBBESLD-UHFFFAOYSA-N
XLogP5.29
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.31
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19337105
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 16559200
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2088419
4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide
CID 19284482
4-[[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]amino]-4-oxobutanoic acid
CID 39853514
3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19394803
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide
CID 19285296
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide (CID 19407183) is N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1nn(Cc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is VWINKUVLBBESLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O/c22-16-8-5-14(6-9-16)12-27-13-18(23)21(26-27)25-20(28)10-7-15-11-24-19-4-2-1-3-17(15)19/h1-6,8-9,11,13,24H,7,10,12H2,(H,25,26,28).
What are the key properties of N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide?
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 413.31 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 19407183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).