[6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate

C21H16ClN5O3 — CID 25143522

IUPAC[6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OCc1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1
InChIInChI=1S/C21H16ClN5O3/c22-16-4-1-5-17(9-16)26-21(29)30-13-14-6-7-19(24-10-14)27-20(28)18(12-25-27)15-3-2-8-23-11-15/h1-12,25H,13H2,(H,26,29)
InChIKeyVKWSJBFOUBZRJO-UHFFFAOYSA-N
MW421.84 g/mol
LogP4.02
Rot. Bonds5

About [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate

[6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate (PubChem CID 25143522) has the molecular formula C21H16ClN5O3 and a molecular weight of 421.84 g/mol. Its IUPAC name is [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name[6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate
PubChem CID25143522
Molecular FormulaC21H16ClN5O3
Molecular Weight421.84 g/mol
Exact Mass421.09
IUPAC Name[6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OCc1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1
InChIInChI=1S/C21H16ClN5O3/c22-16-4-1-5-17(9-16)26-21(29)30-13-14-6-7-19(24-10-14)27-20(28)18(12-25-27)15-3-2-8-23-11-15/h1-12,25H,13H2,(H,26,29)
InChIKeyVKWSJBFOUBZRJO-UHFFFAOYSA-N
XLogP4.02
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate with MolForge

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Related Compounds

[6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(2,3-dimethylphenyl)carbamate
CID 59280217
ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide
CID 143687198
2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 59280215
pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 4524913
2-[4-chloro-5-(hydroxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one;2,2,2-trifluoroacetic acid
CID 68717571
N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]benzamide;hydrochloride
CID 68706385
2-(6-piperidin-1-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 25073750
2-chloro-N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]-2-phenylacetamide
CID 141255098
(4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate
CID 171824215
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1H-pyrazol-3-one
CID 24794806
2-(4-phenylphenyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 52655964
benzyl N-[4-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]carbamate
CID 57312044

Frequently Asked Questions

What is the IUPAC name of [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate?
The IUPAC name of [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate (CID 25143522) is [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)OCc1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1.
What is the InChIKey of [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate?
The InChIKey is VKWSJBFOUBZRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O3/c22-16-4-1-5-17(9-16)26-21(29)30-13-14-6-7-19(24-10-14)27-20(28)18(12-25-27)15-3-2-8-23-11-15/h1-12,25H,13H2,(H,26,29).
What are the key properties of [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate?
[6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate has a molecular weight of 421.84 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-3-pyridinyl]methyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 25143522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).