3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide

C19H23N5O2 — CID 46968706

IUPAC3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCn3ccnc3C)n(C)n2)cc1
InChIInChI=1S/C19H23N5O2/c1-14-20-10-12-24(14)11-4-9-21-19(25)18-13-17(22-23(18)2)15-5-7-16(26-3)8-6-15/h5-8,10,12-13H,4,9,11H2,1-3H3,(H,21,25)
InChIKeyKGKZFDADBADKNR-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.42
Rot. Bonds7

About 3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide

3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide (PubChem CID 46968706) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide
PubChem CID46968706
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCn3ccnc3C)n(C)n2)cc1
InChIInChI=1S/C19H23N5O2/c1-14-20-10-12-24(14)11-4-9-21-19(25)18-13-17(22-23(18)2)15-5-7-16(26-3)8-6-15/h5-8,10,12-13H,4,9,11H2,1-3H3,(H,21,25)
InChIKeyKGKZFDADBADKNR-UHFFFAOYSA-N
XLogP2.42
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide (CID 46968706) is 3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCCCn3ccnc3C)n(C)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide?
The InChIKey is KGKZFDADBADKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-20-10-12-24(14)11-4-9-21-19(25)18-13-17(22-23(18)2)15-5-7-16(26-3)8-6-15/h5-8,10,12-13H,4,9,11H2,1-3H3,(H,21,25).
What are the key properties of 3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide is sourced from PubChem (CID 46968706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).