(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

C20H24N6O4 — CID 167170746

IUPAC(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
SMILESCc1ccc(C2=NN(C(=O)N[C@H](C)c3nnc(C)o3)C[C@H]2N2CCOCC2=O)cc1
InChIInChI=1S/C20H24N6O4/c1-12-4-6-15(7-5-12)18-16(25-8-9-29-11-17(25)27)10-26(24-18)20(28)21-13(2)19-23-22-14(3)30-19/h4-7,13,16H,8-11H2,1-3H3,(H,21,28)/t13-,16-/m1/s1
InChIKeyKHXKPMDYAKCROS-CZUORRHYSA-N
MW412.45 g/mol
LogP1.40
Rot. Bonds4

About (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

(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 (PubChem CID 167170746) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167170746
Molecular FormulaC20H24N6O4
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC Name(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
SMILESCc1ccc(C2=NN(C(=O)N[C@H](C)c3nnc(C)o3)C[C@H]2N2CCOCC2=O)cc1
InChIInChI=1S/C20H24N6O4/c1-12-4-6-15(7-5-12)18-16(25-8-9-29-11-17(25)27)10-26(24-18)20(28)21-13(2)19-23-22-14(3)30-19/h4-7,13,16H,8-11H2,1-3H3,(H,21,28)/t13-,16-/m1/s1
InChIKeyKHXKPMDYAKCROS-CZUORRHYSA-N
XLogP1.40
TPSA113.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(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)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide
CID 156783160
(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
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
5-(4-methoxyphenyl)-4-(3-oxomorpholin-4-yl)-3,4-dihydropyrazole-2-carbonyl chloride
CID 167170830
(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
(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
5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carbonyl chloride
CID 167170730
5-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
CID 167170742
4-(4-methyl-2-oxopiperazin-1-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl chloride
CID 167170749
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc(C2=NN(C(=O)N[C@H](C)c3nnc(C)o3)C[C@H]2N2CCOCC2=O)cc1.
What is the InChIKey of (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?
The InChIKey is KHXKPMDYAKCROS-CZUORRHYSA-N. The full InChI is InChI=1S/C20H24N6O4/c1-12-4-6-15(7-5-12)18-16(25-8-9-29-11-17(25)27)10-26(24-18)20(28)21-13(2)19-23-22-14(3)30-19/h4-7,13,16H,8-11H2,1-3H3,(H,21,28)/t13-,16-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 412.45 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167170746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).