5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide

C24H22N4O2 — CID 60581323

IUPAC5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cnn1-c1ccccc1
InChIInChI=1S/C24H22N4O2/c1-3-22-21(16-26-28(22)19-8-5-4-6-9-19)24(29)27-18-11-12-23(17(2)14-18)30-20-10-7-13-25-15-20/h4-16H,3H2,1-2H3,(H,27,29)
InChIKeyRNEINIHYLGYDLN-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.18
Rot. Bonds6

About 5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide

5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 60581323) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID60581323
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cnn1-c1ccccc1
InChIInChI=1S/C24H22N4O2/c1-3-22-21(16-26-28(22)19-8-5-4-6-9-19)24(29)27-18-11-12-23(17(2)14-18)30-20-10-7-13-25-15-20/h4-16H,3H2,1-2H3,(H,27,29)
InChIKeyRNEINIHYLGYDLN-UHFFFAOYSA-N
XLogP5.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55990233
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 37437633
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 52655877
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide
CID 166220719
(E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 60581339
N-(3,4-dimethoxyphenyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31900906
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
3,3-dimethyl-5-(3-methyl-4-pyridin-3-yloxyanilino)-5-oxopentanoic acid
CID 47704346
(2S,5R)-5-(aminomethyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)oxolane-2-carboxamide;dihydrochloride
CID 120799083
2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide
CID 60581315

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 60581323) is 5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cnn1-c1ccccc1.
What is the InChIKey of 5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is RNEINIHYLGYDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-3-22-21(16-26-28(22)19-8-5-4-6-9-19)24(29)27-18-11-12-23(17(2)14-18)30-20-10-7-13-25-15-20/h4-16H,3H2,1-2H3,(H,27,29).
What are the key properties of 5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide?
5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 60581323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).