N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide

C24H23N7O2S — CID 55604792

IUPACN'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
SMILESCc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3cnn(-c4ccccn4)c3C)cc2)n1
InChIInChI=1S/C24H23N7O2S/c1-15-12-16(2)28-24(27-15)34-14-18-7-9-19(10-8-18)22(32)29-30-23(33)20-13-26-31(17(20)3)21-6-4-5-11-25-21/h4-13H,14H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyHUNRTZPWUWFEOP-UHFFFAOYSA-N
MW473.56 g/mol
LogP3.35
Rot. Bonds6

About N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide

N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide (PubChem CID 55604792) has the molecular formula C24H23N7O2S and a molecular weight of 473.56 g/mol. Its IUPAC name is N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
PubChem CID55604792
Molecular FormulaC24H23N7O2S
Molecular Weight473.56 g/mol
Exact Mass473.16
IUPAC NameN'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
SMILESCc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3cnn(-c4ccccn4)c3C)cc2)n1
InChIInChI=1S/C24H23N7O2S/c1-15-12-16(2)28-24(27-15)34-14-18-7-9-19(10-8-18)22(32)29-30-23(33)20-13-26-31(17(20)3)21-6-4-5-11-25-21/h4-13H,14H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyHUNRTZPWUWFEOP-UHFFFAOYSA-N
XLogP3.35
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide (CID 55604792) is N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide is Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3cnn(-c4ccccn4)c3C)cc2)n1.
What is the InChIKey of N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
The InChIKey is HUNRTZPWUWFEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2S/c1-15-12-16(2)28-24(27-15)34-14-18-7-9-19(10-8-18)22(32)29-30-23(33)20-13-26-31(17(20)3)21-6-4-5-11-25-21/h4-13H,14H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide has a molecular weight of 473.56 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 55604792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).