5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide

C20H19ClFN5O3 — CID 55799449

IUPAC5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)C2=NN(c3ccc(F)cc3)C(C(N)=O)C2)c1
InChIInChI=1S/C20H19ClFN5O3/c1-2-18(28)24-12-5-8-14(21)15(9-12)25-20(30)16-10-17(19(23)29)27(26-16)13-6-3-11(22)4-7-13/h3-9,17H,2,10H2,1H3,(H2,23,29)(H,24,28)(H,25,30)
InChIKeyXPTMWCMNBIVSQW-UHFFFAOYSA-N
MW431.86 g/mol
LogP2.89
Rot. Bonds6

About 5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 55799449) has the molecular formula C20H19ClFN5O3 and a molecular weight of 431.86 g/mol. Its IUPAC name is 5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID55799449
Molecular FormulaC20H19ClFN5O3
Molecular Weight431.86 g/mol
Exact Mass431.12
IUPAC Name5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)C2=NN(c3ccc(F)cc3)C(C(N)=O)C2)c1
InChIInChI=1S/C20H19ClFN5O3/c1-2-18(28)24-12-5-8-14(21)15(9-12)25-20(30)16-10-17(19(23)29)27(26-16)13-6-3-11(22)4-7-13/h3-9,17H,2,10H2,1H3,(H2,23,29)(H,24,28)(H,25,30)
InChIKeyXPTMWCMNBIVSQW-UHFFFAOYSA-N
XLogP2.89
TPSA116.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.86
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide 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 3-[[3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carbonyl]amino]-4-chlorobenzoate
CID 55561444
2-(4-fluorophenyl)-5-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55560989
5-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55727016
5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide
CID 134102072
2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55903469
(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
(3S)-2-(4-fluorophenyl)-5-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36629644
N-[4-chloro-3-(cyclopentylamino)phenyl]propanamide
CID 43679054
(3S)-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999402
N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43701431
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide (CID 55799449) is 5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)C2=NN(c3ccc(F)cc3)C(C(N)=O)C2)c1.
What is the InChIKey of 5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is XPTMWCMNBIVSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5O3/c1-2-18(28)24-12-5-8-14(21)15(9-12)25-20(30)16-10-17(19(23)29)27(26-16)13-6-3-11(22)4-7-13/h3-9,17H,2,10H2,1H3,(H2,23,29)(H,24,28)(H,25,30).
What are the key properties of 5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 431.86 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-chloro-5-(propanoylamino)phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 55799449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).