N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide

C21H21F2N5O3 — CID 175077280

IUPACN-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(C2=NN(C(=O)N[C@H](C)c3cnc(F)c(F)c3)CC2N2CCOC2=O)cc1
InChIInChI=1S/C21H21F2N5O3/c1-12-3-5-14(6-4-12)18-17(27-7-8-31-21(27)30)11-28(26-18)20(29)25-13(2)15-9-16(22)19(23)24-10-15/h3-6,9-10,13,17H,7-8,11H2,1-2H3,(H,25,29)/t13-,17?/m1/s1
InChIKeyPRFUSOCMMPDXCZ-FWJOYPJLSA-N
MW429.43 g/mol
LogP2.98
Rot. Bonds4

About N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide

N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 175077280) has the molecular formula C21H21F2N5O3 and a molecular weight of 429.43 g/mol. Its IUPAC name is N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID175077280
Molecular FormulaC21H21F2N5O3
Molecular Weight429.43 g/mol
Exact Mass429.16
IUPAC NameN-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(C2=NN(C(=O)N[C@H](C)c3cnc(F)c(F)c3)CC2N2CCOC2=O)cc1
InChIInChI=1S/C21H21F2N5O3/c1-12-3-5-14(6-4-12)18-17(27-7-8-31-21(27)30)11-28(26-18)20(29)25-13(2)15-9-16(22)19(23)24-10-15/h3-6,9-10,13,17H,7-8,11H2,1-2H3,(H,25,29)/t13-,17?/m1/s1
InChIKeyPRFUSOCMMPDXCZ-FWJOYPJLSA-N
XLogP2.98
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide (CID 175077280) is N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide is Cc1ccc(C2=NN(C(=O)N[C@H](C)c3cnc(F)c(F)c3)CC2N2CCOC2=O)cc1.
What is the InChIKey of N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is PRFUSOCMMPDXCZ-FWJOYPJLSA-N. The full InChI is InChI=1S/C21H21F2N5O3/c1-12-3-5-14(6-4-12)18-17(27-7-8-31-21(27)30)11-28(26-18)20(29)25-13(2)15-9-16(22)19(23)24-10-15/h3-6,9-10,13,17H,7-8,11H2,1-2H3,(H,25,29)/t13-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide?
N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 175077280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).