3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide

C25H23N3O3 — CID 46856766

IUPAC3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)[nH]n2)cc1
InChIInChI=1S/C25H23N3O3/c1-2-30-21-12-8-19(9-13-21)23-16-24(28-27-23)25(29)26-20-10-14-22(15-11-20)31-17-18-6-4-3-5-7-18/h3-16H,2,17H2,1H3,(H,26,29)(H,27,28)
InChIKeyTWQXRTHPMAZKNS-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.31
Rot. Bonds8

About 3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide

3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46856766) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46856766
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)[nH]n2)cc1
InChIInChI=1S/C25H23N3O3/c1-2-30-21-12-8-19(9-13-21)23-16-24(28-27-23)25(29)26-20-10-14-22(15-11-20)31-17-18-6-4-3-5-7-18/h3-16H,2,17H2,1H3,(H,26,29)(H,27,28)
InChIKeyTWQXRTHPMAZKNS-UHFFFAOYSA-N
XLogP5.31
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030415
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
3-(3-methoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856863
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576776
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514297
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
N-[4-[3-(dimethylamino)propoxy]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 86898687
methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate
CID 58748843
3-(4-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4527834
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
3-(4-ethoxyphenyl)-N-(1-phenylethylideneamino)-1H-pyrazole-5-carboxamide
CID 687657

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 46856766) is 3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide is CCOc1ccc(-c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)[nH]n2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is TWQXRTHPMAZKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-2-30-21-12-8-19(9-13-21)23-16-24(28-27-23)25(29)26-20-10-14-22(15-11-20)31-17-18-6-4-3-5-7-18/h3-16H,2,17H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46856766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).