N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide

C19H20Cl2N4O2 — CID 15988786

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)no1
InChIInChI=1S/C19H20Cl2N4O2/c1-4-5-14-9-17(24-27-14)19(26)22-18-11(2)23-25(12(18)3)10-13-6-7-15(20)16(21)8-13/h6-9H,4-5,10H2,1-3H3,(H,22,26)
InChIKeyHYPAVKRMZIXUMA-UHFFFAOYSA-N
MW407.30 g/mol
LogP5.05
Rot. Bonds6

About N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide

N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 15988786) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID15988786
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)no1
InChIInChI=1S/C19H20Cl2N4O2/c1-4-5-14-9-17(24-27-14)19(26)22-18-11(2)23-25(12(18)3)10-13-6-7-15(20)16(21)8-13/h6-9H,4-5,10H2,1-3H3,(H,22,26)
InChIKeyHYPAVKRMZIXUMA-UHFFFAOYSA-N
XLogP5.05
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.30
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide (CID 15988786) is N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)no1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is HYPAVKRMZIXUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c1-4-5-14-9-17(24-27-14)19(26)22-18-11(2)23-25(12(18)3)10-13-6-7-15(20)16(21)8-13/h6-9H,4-5,10H2,1-3H3,(H,22,26).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide?
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 407.30 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).