N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide

C19H23N5O — CID 166285375

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)n(C)n1
InChIInChI=1S/C19H23N5O/c1-5-6-16-11-18(23(4)22-16)19(25)21-15-7-9-17(10-8-15)24-12-20-13(2)14(24)3/h7-12H,5-6H2,1-4H3,(H,21,25)
InChIKeyLCFFKRLDTNUWLD-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.43
Rot. Bonds5

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 166285375) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID166285375
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)n(C)n1
InChIInChI=1S/C19H23N5O/c1-5-6-16-11-18(23(4)22-16)19(25)21-15-7-9-17(10-8-15)24-12-20-13(2)14(24)3/h7-12H,5-6H2,1-4H3,(H,21,25)
InChIKeyLCFFKRLDTNUWLD-UHFFFAOYSA-N
XLogP3.43
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide (CID 166285375) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)n(C)n1.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is LCFFKRLDTNUWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-6-16-11-18(23(4)22-16)19(25)21-15-7-9-17(10-8-15)24-12-20-13(2)14(24)3/h7-12H,5-6H2,1-4H3,(H,21,25).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 166285375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).