1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide

C20H24F4N4O3 — CID 17024088

IUPAC1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cccc(COCC(F)(F)C(F)F)c2)c(C(=O)NC(C)C)n1
InChIInChI=1S/C20H24F4N4O3/c1-4-28-9-15(16(27-28)18(30)25-12(2)3)26-17(29)14-7-5-6-13(8-14)10-31-11-20(23,24)19(21)22/h5-9,12,19H,4,10-11H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyXVAADOLQMNWXLL-UHFFFAOYSA-N
MW444.43 g/mol
LogP3.71
Rot. Bonds10

About 1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide

1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide (PubChem CID 17024088) has the molecular formula C20H24F4N4O3 and a molecular weight of 444.43 g/mol. Its IUPAC name is 1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide
PubChem CID17024088
Molecular FormulaC20H24F4N4O3
Molecular Weight444.43 g/mol
Exact Mass444.18
IUPAC Name1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cccc(COCC(F)(F)C(F)F)c2)c(C(=O)NC(C)C)n1
InChIInChI=1S/C20H24F4N4O3/c1-4-28-9-15(16(27-28)18(30)25-12(2)3)26-17(29)14-7-5-6-13(8-14)10-31-11-20(23,24)19(21)22/h5-9,12,19H,4,10-11H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyXVAADOLQMNWXLL-UHFFFAOYSA-N
XLogP3.71
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-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

methyl 2-[({[3-(aminocarbonyl)-1-ethyl-1H-pyrazol-4-yl]amino}carbonyl)amino]benzoate
CID 971834
1-Ethyl-N-isobutyl-4-({4-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-1H-pyrazole-3-carboxamide
CID 4776712
methyl 2-{[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}benzoate
CID 1084320
12-Methyl-21-oxa-1,9,12,13,16,26-hexazatetracyclo[20.3.1.13,7.010,14]heptacosa-3(27),4,6,10,13,22(26),23-heptaene-8,15,25-trione
CID 122447240
12-Methyl-20-oxa-1,9,12,13,16,25-hexazatetracyclo[19.3.1.13,7.010,14]hexacosa-3(26),4,6,10,13,21(25),22-heptaene-8,15,24-trione
CID 122447249
12-(Oxan-4-yl)-20-oxa-1,9,12,13,16,25-hexazatetracyclo[19.3.1.13,7.010,14]hexacosa-3(26),4,6,10,13,21(25),22-heptaene-8,15,24-trione
CID 122470008
12-Tert-butyl-20-oxa-1,9,12,13,16,25-hexazatetracyclo[19.3.1.13,7.010,14]hexacosa-3(26),4,6,10,13,21(25),22-heptaene-8,15,24-trione
CID 122470039
1-methyl-N-(2-methylpropyl)-4-[({4-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}carbonyl)amino]-1H-pyrazole-5-carboxamide
CID 17024077
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide
CID 30954909
[(6R)-8-oxo-2-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepin-6-yl]methyl benzoate
CID 45486103
methyl 4-({2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}carbamoyl)benzoate
CID 71808021
Ethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 6465292

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide (CID 17024088) is 1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide is CCn1cc(NC(=O)c2cccc(COCC(F)(F)C(F)F)c2)c(C(=O)NC(C)C)n1.
What is the InChIKey of 1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide?
The InChIKey is XVAADOLQMNWXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F4N4O3/c1-4-28-9-15(16(27-28)18(30)25-12(2)3)26-17(29)14-7-5-6-13(8-14)10-31-11-20(23,24)19(21)22/h5-9,12,19H,4,10-11H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of 1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide?
1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide has a molecular weight of 444.43 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-propan-2-yl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 17024088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).