N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide

C25H20N4O2 — CID 55899094

IUPACN-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESN#CCc1ccc(OCc2ccccc2NC(=O)c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C25H20N4O2/c26-15-14-19-10-12-23(13-11-19)31-18-20-6-4-5-9-24(20)28-25(30)21-16-27-29(17-21)22-7-2-1-3-8-22/h1-13,16-17H,14,18H2,(H,28,30)
InChIKeyFVQCEXGEFHVKGX-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.77
Rot. Bonds7

About N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide

N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 55899094) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID55899094
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESN#CCc1ccc(OCc2ccccc2NC(=O)c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C25H20N4O2/c26-15-14-19-10-12-23(13-11-19)31-18-20-6-4-5-9-24(20)28-25(30)21-16-27-29(17-21)22-7-2-1-3-8-22/h1-13,16-17H,14,18H2,(H,28,30)
InChIKeyFVQCEXGEFHVKGX-UHFFFAOYSA-N
XLogP4.77
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-5-ethylfuran-2-carboxamide
CID 55899603
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55899483
1-[(6-chloro-3-pyridinyl)methyl]-3-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]urea
CID 78893561
4-chloro-N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-3-methylsulfonylbenzamide
CID 52702742
3-bromo-N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-methylindole-2-carboxamide
CID 55981884
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55899991
N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9324440
N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide
CID 28742301
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 55981754
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]propanamide
CID 55899485
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55899981
N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
CID 55312855

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide (CID 55899094) is N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide is N#CCc1ccc(OCc2ccccc2NC(=O)c2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is FVQCEXGEFHVKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c26-15-14-19-10-12-23(13-11-19)31-18-20-6-4-5-9-24(20)28-25(30)21-16-27-29(17-21)22-7-2-1-3-8-22/h1-13,16-17H,14,18H2,(H,28,30).
What are the key properties of N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide?
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55899094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).