5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide

C18H19N5O2 — CID 86924728

IUPAC5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCN(Cc1cccnc1)C(=O)C1=NN(c2ccccc2)C(C(N)=O)C1
InChIInChI=1S/C18H19N5O2/c1-22(12-13-6-5-9-20-11-13)18(25)15-10-16(17(19)24)23(21-15)14-7-3-2-4-8-14/h2-9,11,16H,10,12H2,1H3,(H2,19,24)
InChIKeyYODBZEFFQYFIGJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.16
Rot. Bonds5

About 5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 86924728) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID86924728
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCN(Cc1cccnc1)C(=O)C1=NN(c2ccccc2)C(C(N)=O)C1
InChIInChI=1S/C18H19N5O2/c1-22(12-13-6-5-9-20-11-13)18(25)15-10-16(17(19)24)23(21-15)14-7-3-2-4-8-14/h2-9,11,16H,10,12H2,1H3,(H2,19,24)
InChIKeyYODBZEFFQYFIGJ-UHFFFAOYSA-N
XLogP1.16
TPSA91.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36619318
(3S)-5-N-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 38303849
(3S)-5-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 37288223
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75485191
5-N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-fluorophenyl)-5-N-methyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55579562
N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 78784155
N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 78852401
(3R)-5-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 52503104
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide (CID 86924728) is 5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide is CN(Cc1cccnc1)C(=O)C1=NN(c2ccccc2)C(C(N)=O)C1.
What is the InChIKey of 5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is YODBZEFFQYFIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22(12-13-6-5-9-20-11-13)18(25)15-10-16(17(19)24)23(21-15)14-7-3-2-4-8-14/h2-9,11,16H,10,12H2,1H3,(H2,19,24).
What are the key properties of 5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 86924728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).