N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide

C30H32FN5O3 — CID 4839973

IUPACN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(OC)c2)cc1
InChIInChI=1S/C30H32FN5O3/c1-4-35(5-2)18-17-32-29(37)21-9-13-24(14-10-21)33-30(38)27-20-36(25-15-11-23(31)12-16-25)34-28(27)22-7-6-8-26(19-22)39-3/h6-16,19-20H,4-5,17-18H2,1-3H3,(H,32,37)(H,33,38)
InChIKeyYORRTVYDYBMZFM-UHFFFAOYSA-N
MW529.62 g/mol
LogP5.01
Rot. Bonds11

About N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide

N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 4839973) has the molecular formula C30H32FN5O3 and a molecular weight of 529.62 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID4839973
Molecular FormulaC30H32FN5O3
Molecular Weight529.62 g/mol
Exact Mass529.25
IUPAC NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(OC)c2)cc1
InChIInChI=1S/C30H32FN5O3/c1-4-35(5-2)18-17-32-29(37)21-9-13-24(14-10-21)33-30(38)27-20-36(25-15-11-23(31)12-16-25)34-28(27)22-7-6-8-26(19-22)39-3/h6-16,19-20H,4-5,17-18H2,1-3H3,(H,32,37)(H,33,38)
InChIKeyYORRTVYDYBMZFM-UHFFFAOYSA-N
XLogP5.01
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.62
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
CID 23648343
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
[4-(4-fluorophenyl)piperazino][1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanone
CID 2812819
2,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo(3,4-d)pyridazin-4-one
CID 6409092
3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1217387
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
1-(4-Ethoxyphenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
CID 46884919
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
CID 59004228
N-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 70694214
3-(4-methoxyphenyl)-N-[(4-methylphenyl)carbamothioyl]-1-phenylpyrazole-4-carboxamide
CID 72707852

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide (CID 4839973) is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(OC)c2)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is YORRTVYDYBMZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O3/c1-4-35(5-2)18-17-32-29(37)21-9-13-24(14-10-21)33-30(38)27-20-36(25-15-11-23(31)12-16-25)34-28(27)22-7-6-8-26(19-22)39-3/h6-16,19-20H,4-5,17-18H2,1-3H3,(H,32,37)(H,33,38).
What are the key properties of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 529.62 g/mol, XLogP of 5.01, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 4839973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).