(3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C17H19N5O3 — CID 38303849

IUPAC(3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCc1cc(CN(C)C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)no1
InChIInChI=1S/C17H19N5O3/c1-11-8-12(20-25-11)10-21(2)17(24)14-9-15(16(18)23)22(19-14)13-6-4-3-5-7-13/h3-8,15H,9-10H2,1-2H3,(H2,18,23)/t15-/m0/s1
InChIKeyNPNGDQYXILFXHZ-HNNXBMFYSA-N
MW341.37 g/mol
LogP1.06
Rot. Bonds5

About (3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

(3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 38303849) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is (3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name(3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID38303849
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name(3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCc1cc(CN(C)C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)no1
InChIInChI=1S/C17H19N5O3/c1-11-8-12(20-25-11)10-21(2)17(24)14-9-15(16(18)23)22(19-14)13-6-4-3-5-7-13/h3-8,15H,9-10H2,1-2H3,(H2,18,23)/t15-/m0/s1
InChIKeyNPNGDQYXILFXHZ-HNNXBMFYSA-N
XLogP1.06
TPSA105.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36619318
5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 86924728
(3S)-5-N-methyl-2-phenyl-5-N-(thiophen-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51932851
(3R)-5-N-methyl-2-phenyl-5-N-(thiophen-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51932852
5-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 42950316
(3S)-5-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 37288223
5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55579562
5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46566930
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 38304018
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide
CID 43588867
5-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55572280

Frequently Asked Questions

What is the IUPAC name of (3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of (3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 38303849) is (3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for (3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for (3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is Cc1cc(CN(C)C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)no1.
What is the InChIKey of (3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is NPNGDQYXILFXHZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11-8-12(20-25-11)10-21(2)17(24)14-9-15(16(18)23)22(19-14)13-6-4-3-5-7-13/h3-8,15H,9-10H2,1-2H3,(H2,18,23)/t15-/m0/s1.
What are the key properties of (3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
(3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 38303849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).