N-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide

C24H23FN4O3 — CID 52951480

IUPACN-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCOCC3)nn2-c2ccccc2F)cc1
InChIInChI=1S/C24H23FN4O3/c1-16-21(23(30)27-24(15-26)11-13-32-14-12-24)28-29(20-6-4-3-5-19(20)25)22(16)17-7-9-18(31-2)10-8-17/h3-10H,11-14H2,1-2H3,(H,27,30)
InChIKeyGEOLYIQEFDNFIJ-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.80
Rot. Bonds5

About N-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide

N-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide (PubChem CID 52951480) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide
PubChem CID52951480
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC NameN-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCOCC3)nn2-c2ccccc2F)cc1
InChIInChI=1S/C24H23FN4O3/c1-16-21(23(30)27-24(15-26)11-13-32-14-12-24)28-29(20-6-4-3-5-19(20)25)22(16)17-7-9-18(31-2)10-8-17/h3-10H,11-14H2,1-2H3,(H,27,30)
InChIKeyGEOLYIQEFDNFIJ-UHFFFAOYSA-N
XLogP3.80
TPSA89.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-bromophenyl)-4-cyano-5-(4-methoxyphenyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 11995516
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-methoxyphenyl)methyl]butanamide
CID 20919914
1-[[1-(4-Fluorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 90644399
5-(4-Methoxy-phenyl)-2-phenyl-2H-pyrazole-3-carboxylic acid hydrazide
CID 2387114
1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 11825711
1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 11825950
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-ethoxyphenyl)methyl]butanamide
CID 16022700
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]-N-(4-methoxybenzyl)acetamide
CID 16028260
(3-Cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 16321718
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(4-ethoxyphenyl)ethyl]propanamide
CID 20919720
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513150
N-[(2-Fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL]acetamide
CID 22513173

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide (CID 52951480) is N-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide is COc1ccc(-c2c(C)c(C(=O)NC3(C#N)CCOCC3)nn2-c2ccccc2F)cc1.
What is the InChIKey of N-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide?
The InChIKey is GEOLYIQEFDNFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-16-21(23(30)27-24(15-26)11-13-32-14-12-24)28-29(20-6-4-3-5-19(20)25)22(16)17-7-9-18(31-2)10-8-17/h3-10H,11-14H2,1-2H3,(H,27,30).
What are the key properties of N-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide?
N-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanooxan-4-yl)-1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 52951480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).