N-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide

C19H18Cl2N4O — CID 35330902

IUPACN-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N4O/c1-12-16(13(2)25(24-12)15-6-4-3-5-7-15)8-9-18(26)23-19-17(21)10-14(20)11-22-19/h3-7,10-11H,8-9H2,1-2H3,(H,22,23,26)
InChIKeyRADKBLJADNUOIG-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.76
Rot. Bonds5

About N-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide

N-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide (PubChem CID 35330902) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
PubChem CID35330902
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N4O/c1-12-16(13(2)25(24-12)15-6-4-3-5-7-15)8-9-18(26)23-19-17(21)10-14(20)11-22-19/h3-7,10-11H,8-9H2,1-2H3,(H,22,23,26)
InChIKeyRADKBLJADNUOIG-UHFFFAOYSA-N
XLogP4.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9403949
N-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802
N-[(3-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9427471
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
CID 9403845
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
N-(4-bromo-2-methylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9428744
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 9398948
N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9141969
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 55722123
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9269421
N-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide
CID 39891150
3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 16796125

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide (CID 35330902) is N-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide is Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
The InChIKey is RADKBLJADNUOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c1-12-16(13(2)25(24-12)15-6-4-3-5-7-15)8-9-18(26)23-19-17(21)10-14(20)11-22-19/h3-7,10-11H,8-9H2,1-2H3,(H,22,23,26).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
N-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide has a molecular weight of 389.29 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 35330902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).