N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide

C17H19N5O2 — CID 166327015

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)[nH]n1
InChIInChI=1S/C17H19N5O2/c1-4-24-16-9-15(20-21-16)17(23)19-13-5-7-14(8-6-13)22-10-18-11(2)12(22)3/h5-10H,4H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyKMEZDDACUJQWCU-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.86
Rot. Bonds5

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide (PubChem CID 166327015) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide
PubChem CID166327015
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)[nH]n1
InChIInChI=1S/C17H19N5O2/c1-4-24-16-9-15(20-21-16)17(23)19-13-5-7-14(8-6-13)22-10-18-11(2)12(22)3/h5-10H,4H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyKMEZDDACUJQWCU-UHFFFAOYSA-N
XLogP2.86
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-ethoxypyrazine-2-carboxamide
CID 166215462
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 146153635
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide
CID 166340631
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide
CID 166327019
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 166215739
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 166285375
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 166215842
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide
CID 166327124
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
CID 166215428
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 166327105

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide (CID 166327015) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide is CCOc1cc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)[nH]n1.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide?
The InChIKey is KMEZDDACUJQWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-4-24-16-9-15(20-21-16)17(23)19-13-5-7-14(8-6-13)22-10-18-11(2)12(22)3/h5-10H,4H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 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]-3-ethoxy-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166327015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).