(4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide

C20H21ClN6O3 — CID 156783172

IUPAC(4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ncc([C@@H](C)NC(=O)N2C[C@@H](N3CCOC3=O)C(c3ccc(Cl)cc3)=N2)cn1
InChIInChI=1S/C20H21ClN6O3/c1-12(15-9-22-13(2)23-10-15)24-19(28)27-11-17(26-7-8-30-20(26)29)18(25-27)14-3-5-16(21)6-4-14/h3-6,9-10,12,17H,7-8,11H2,1-2H3,(H,24,28)/t12-,17-/m1/s1
InChIKeyFNYKKSJPFABUSB-SJKOYZFVSA-N
MW428.88 g/mol
LogP2.75
Rot. Bonds4

About (4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide

(4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 156783172) has the molecular formula C20H21ClN6O3 and a molecular weight of 428.88 g/mol. Its IUPAC name is (4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name(4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID156783172
Molecular FormulaC20H21ClN6O3
Molecular Weight428.88 g/mol
Exact Mass428.14
IUPAC Name(4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ncc([C@@H](C)NC(=O)N2C[C@@H](N3CCOC3=O)C(c3ccc(Cl)cc3)=N2)cn1
InChIInChI=1S/C20H21ClN6O3/c1-12(15-9-22-13(2)23-10-15)24-19(28)27-11-17(26-7-8-30-20(26)29)18(25-27)14-3-5-16(21)6-4-14/h3-6,9-10,12,17H,7-8,11H2,1-2H3,(H,24,28)/t12-,17-/m1/s1
InChIKeyFNYKKSJPFABUSB-SJKOYZFVSA-N
XLogP2.75
TPSA100.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
(4S)-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 155673431
(4S)-5-(4-methylphenyl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
CID 175069127
5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carbonyl chloride
CID 167170730
(4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide
CID 170318723
5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
CID 167170742
(4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide
CID 156783160
(4R)-4-(3-acetyl-2-oxoimidazolidin-1-yl)-5-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide
CID 170318738
(4R)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-3,4-dihydropyrazole-2-carboxamide
CID 167170746
(4R)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-3,4-dihydropyrazole-2-carboxamide
CID 170318744
(4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide
CID 156783146
(4R)-4-[acetyl(methyl)amino]-N-[(1R)-1-(6-chloro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 156783163

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of (4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide (CID 156783172) is (4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for (4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for (4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide is Cc1ncc([C@@H](C)NC(=O)N2C[C@@H](N3CCOC3=O)C(c3ccc(Cl)cc3)=N2)cn1.
What is the InChIKey of (4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is FNYKKSJPFABUSB-SJKOYZFVSA-N. The full InChI is InChI=1S/C20H21ClN6O3/c1-12(15-9-22-13(2)23-10-15)24-19(28)27-11-17(26-7-8-30-20(26)29)18(25-27)14-3-5-16(21)6-4-14/h3-6,9-10,12,17H,7-8,11H2,1-2H3,(H,24,28)/t12-,17-/m1/s1.
What are the key properties of (4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide?
(4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 156783172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).