2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide

C22H22N4O3 — CID 56552764

IUPAC2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide
SMILESCOc1ccccc1-c1cc(NC(=O)C(Oc2ccccc2C#N)C(C)C)n[nH]1
InChIInChI=1S/C22H22N4O3/c1-14(2)21(29-18-10-6-4-8-15(18)13-23)22(27)24-20-12-17(25-26-20)16-9-5-7-11-19(16)28-3/h4-12,14,21H,1-3H3,(H2,24,25,26,27)
InChIKeyXIOFFZOUEYJLRI-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.00
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide

2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide (PubChem CID 56552764) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide
PubChem CID56552764
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide
SMILESCOc1ccccc1-c1cc(NC(=O)C(Oc2ccccc2C#N)C(C)C)n[nH]1
InChIInChI=1S/C22H22N4O3/c1-14(2)21(29-18-10-6-4-8-15(18)13-23)22(27)24-20-12-17(25-26-20)16-9-5-7-11-19(16)28-3/h4-12,14,21H,1-3H3,(H2,24,25,26,27)
InChIKeyXIOFFZOUEYJLRI-UHFFFAOYSA-N
XLogP4.00
TPSA100.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 97211863
(2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 52792045
2-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 51099256
2-(4-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]acetamide
CID 51098942
2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide
CID 55930035
4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566131
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 51099249
2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552729
methyl (2S,3R)-3-[[(2R)-2-(2-cyanophenoxy)-3-methylbutanoyl]sulfamoyl]-2-methylbutanoate
CID 99800406
4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 51099258
4-chloro-N-[2-[[2-(2-cyanophenoxy)-3-methylbutanoyl]amino]ethyl]benzamide
CID 55940470
2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile
CID 95580102

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide (CID 56552764) is 2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide is COc1ccccc1-c1cc(NC(=O)C(Oc2ccccc2C#N)C(C)C)n[nH]1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide?
The InChIKey is XIOFFZOUEYJLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14(2)21(29-18-10-6-4-8-15(18)13-23)22(27)24-20-12-17(25-26-20)16-9-5-7-11-19(16)28-3/h4-12,14,21H,1-3H3,(H2,24,25,26,27).
What are the key properties of 2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide?
2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide has a molecular weight of 390.44 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 56552764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).