(3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide

C18H19N5O2 — CID 36629565

IUPAC(3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESC[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccccn1
InChIInChI=1S/C18H19N5O2/c1-12(14-9-5-6-10-20-14)21-18(25)15-11-16(17(19)24)23(22-15)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3,(H2,19,24)(H,21,25)/t12-,16+/m0/s1
InChIKeyWAWDBASFLMFQAN-BLLLJJGKSA-N
MW337.38 g/mol
LogP1.38
Rot. Bonds5

About (3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide

(3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 36629565) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name(3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID36629565
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESC[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccccn1
InChIInChI=1S/C18H19N5O2/c1-12(14-9-5-6-10-20-14)21-18(25)15-11-16(17(19)24)23(22-15)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3,(H2,19,24)(H,21,25)/t12-,16+/m0/s1
InChIKeyWAWDBASFLMFQAN-BLLLJJGKSA-N
XLogP1.38
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46577919
(3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 38616647
(3S)-5-N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 52509242
(3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 95583461
(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36623710
(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561159
tert-butyl (3S)-5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-3-carboxylate
CID 97312989
5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55571841
5-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 134022863
(3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94066190
(3S)-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999402

Frequently Asked Questions

What is the IUPAC name of (3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of (3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide (CID 36629565) is (3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for (3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for (3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide is C[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccccn1.
What is the InChIKey of (3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is WAWDBASFLMFQAN-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12(14-9-5-6-10-20-14)21-18(25)15-11-16(17(19)24)23(22-15)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3,(H2,19,24)(H,21,25)/t12-,16+/m0/s1.
What are the key properties of (3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
(3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 36629565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).