5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C16H14ClN5O2 — CID 55571841

IUPAC5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)Nc2ccc(Cl)cn2)=NN1c1ccccc1
InChIInChI=1S/C16H14ClN5O2/c17-10-6-7-14(19-9-10)20-16(24)12-8-13(15(18)23)22(21-12)11-4-2-1-3-5-11/h1-7,9,13H,8H2,(H2,18,23)(H,19,20,24)
InChIKeyKBMVJAVTCIAFKL-UHFFFAOYSA-N
MW343.77 g/mol
LogP1.79
Rot. Bonds4

About 5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 55571841) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID55571841
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)Nc2ccc(Cl)cn2)=NN1c1ccccc1
InChIInChI=1S/C16H14ClN5O2/c17-10-6-7-14(19-9-10)20-16(24)12-8-13(15(18)23)22(21-12)11-4-2-1-3-5-11/h1-7,9,13H,8H2,(H2,18,23)(H,19,20,24)
InChIKeyKBMVJAVTCIAFKL-UHFFFAOYSA-N
XLogP1.79
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36623710
(3S)-5-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39975097
(3R)-5-N-(4-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36623786
(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46577919
N-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 7711410
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999402
3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 60620525
(3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 32935230
5-N-[1-(4-bromophenyl)cyclopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55826680

Frequently Asked Questions

What is the IUPAC name of 5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 55571841) is 5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)C1CC(C(=O)Nc2ccc(Cl)cn2)=NN1c1ccccc1.
What is the InChIKey of 5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is KBMVJAVTCIAFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c17-10-6-7-14(19-9-10)20-16(24)12-8-13(15(18)23)22(21-12)11-4-2-1-3-5-11/h1-7,9,13H,8H2,(H2,18,23)(H,19,20,24).
What are the key properties of 5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 343.77 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 55571841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).