(3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide

C14H14N6O2 — CID 95583461

IUPAC(3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)[C@H]1CC(C(=O)Nc2ccn[nH]2)=NN1c1ccccc1
InChIInChI=1S/C14H14N6O2/c15-13(21)11-8-10(14(22)17-12-6-7-16-18-12)19-20(11)9-4-2-1-3-5-9/h1-7,11H,8H2,(H2,15,21)(H2,16,17,18,22)/t11-/m1/s1
InChIKeyNPPZGTRTUNQXOR-LLVKDONJSA-N
MW298.31 g/mol
LogP0.47
Rot. Bonds4

About (3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide

(3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 95583461) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is (3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name(3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID95583461
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name(3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)[C@H]1CC(C(=O)Nc2ccn[nH]2)=NN1c1ccccc1
InChIInChI=1S/C14H14N6O2/c15-13(21)11-8-10(14(22)17-12-6-7-16-18-12)19-20(11)9-4-2-1-3-5-9/h1-7,11H,8H2,(H2,15,21)(H2,16,17,18,22)/t11-/m1/s1
InChIKeyNPPZGTRTUNQXOR-LLVKDONJSA-N
XLogP0.47
TPSA116.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-5-N-(4-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36623786
ethyl (3R)-2-phenyl-3-(1H-pyrazol-5-ylcarbamoyl)-3,4-dihydropyrazole-5-carboxylate
CID 95302285
5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55571841
(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
(3S)-5-N-(1H-benzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36590160
(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36623710
5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46577919
5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 166190072
5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561159
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
(3S)-5-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39975097
(3R)-5-N-(1,3-benzodioxol-5-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999399

Frequently Asked Questions

What is the IUPAC name of (3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of (3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide (CID 95583461) is (3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for (3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for (3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)[C@H]1CC(C(=O)Nc2ccn[nH]2)=NN1c1ccccc1.
What is the InChIKey of (3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is NPPZGTRTUNQXOR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14N6O2/c15-13(21)11-8-10(14(22)17-12-6-7-16-18-12)19-20(11)9-4-2-1-3-5-9/h1-7,11H,8H2,(H2,15,21)(H2,16,17,18,22)/t11-/m1/s1.
What are the key properties of (3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide?
(3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 298.31 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 95583461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).