1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide

C28H27N7O2 — CID 46651525

IUPAC1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide
SMILESCc1cc2nc(C)c(CCC(=O)NNC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)c(C)n2n1
InChIInChI=1S/C28H27N7O2/c1-18-16-25-29-19(2)23(20(3)35(25)32-18)14-15-26(36)30-31-28(37)24-17-34(22-12-8-5-9-13-22)33-27(24)21-10-6-4-7-11-21/h4-13,16-17H,14-15H2,1-3H3,(H,30,36)(H,31,37)
InChIKeyLUDUCDJPFWZEAK-UHFFFAOYSA-N
MW493.57 g/mol
LogP3.90
Rot. Bonds6

About 1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide

1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide (PubChem CID 46651525) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide
PubChem CID46651525
Molecular FormulaC28H27N7O2
Molecular Weight493.57 g/mol
Exact Mass493.22
IUPAC Name1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide
SMILESCc1cc2nc(C)c(CCC(=O)NNC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)c(C)n2n1
InChIInChI=1S/C28H27N7O2/c1-18-16-25-29-19(2)23(20(3)35(25)32-18)14-15-26(36)30-31-28(37)24-17-34(22-12-8-5-9-13-22)33-27(24)21-10-6-4-7-11-21/h4-13,16-17H,14-15H2,1-3H3,(H,30,36)(H,31,37)
InChIKeyLUDUCDJPFWZEAK-UHFFFAOYSA-N
XLogP3.90
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 46651465
N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 34299490
N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide
CID 55386846
N-(2-hydroxyphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 31617297
N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 35001279
N-naphthalen-1-yl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33142251
N'-[2-(2-methoxyphenyl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 35000948
3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide
CID 34250924
1-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-3-(3-methylphenyl)urea
CID 38746104
1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide
CID 2431760
1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide
CID 38003509

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide?
The IUPAC name of 1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide (CID 46651525) is 1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for 1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide?
The canonical SMILES for 1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide is Cc1cc2nc(C)c(CCC(=O)NNC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)c(C)n2n1.
What is the InChIKey of 1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide?
The InChIKey is LUDUCDJPFWZEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2/c1-18-16-25-29-19(2)23(20(3)35(25)32-18)14-15-26(36)30-31-28(37)24-17-34(22-12-8-5-9-13-22)33-27(24)21-10-6-4-7-11-21/h4-13,16-17H,14-15H2,1-3H3,(H,30,36)(H,31,37).
What are the key properties of 1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide?
1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide has a molecular weight of 493.57 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 46651525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).