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

C25H33N5O5 — CID 34250924

IUPAC3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)CCc2c(C)nc3cc(C)nn3c2C)cc(OCC)c1OCC
InChIInChI=1S/C25H33N5O5/c1-7-33-20-13-18(14-21(34-8-2)24(20)35-9-3)25(32)28-27-23(31)11-10-19-16(5)26-22-12-15(4)29-30(22)17(19)6/h12-14H,7-11H2,1-6H3,(H,27,31)(H,28,32)
InChIKeyLFBNBIQHHUUNHK-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.24
Rot. Bonds10

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

3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide (PubChem CID 34250924) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide
PubChem CID34250924
Molecular FormulaC25H33N5O5
Molecular Weight483.57 g/mol
Exact Mass483.25
IUPAC Name3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)CCc2c(C)nc3cc(C)nn3c2C)cc(OCC)c1OCC
InChIInChI=1S/C25H33N5O5/c1-7-33-20-13-18(14-21(34-8-2)24(20)35-9-3)25(32)28-27-23(31)11-10-19-16(5)26-22-12-15(4)29-30(22)17(19)6/h12-14H,7-11H2,1-6H3,(H,27,31)(H,28,32)
InChIKeyLFBNBIQHHUUNHK-UHFFFAOYSA-N
XLogP3.24
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.24
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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Related Compounds

N-butyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 34231119
N-[2-(methylamino)-2-oxoethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 32559039
N-[(4-ethoxyphenyl)-phenylmethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 46433322
N-hexyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 32646392
3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 7129126
N-ethyl-N-(2-hydroxyethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 78821683
N-naphthalen-1-yl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33142251
N-[(5-ethylthiophen-2-yl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 46475586
1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide
CID 46651525
N-(6-methyl-2-pyridinyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35505375
N-(3-hydroxybutyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 111433373
N-[[4-(trifluoromethyl)phenyl]methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35894971

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide?
The IUPAC name of 3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide (CID 34250924) is 3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide?
The canonical SMILES for 3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide is CCOc1cc(C(=O)NNC(=O)CCc2c(C)nc3cc(C)nn3c2C)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide?
The InChIKey is LFBNBIQHHUUNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-7-33-20-13-18(14-21(34-8-2)24(20)35-9-3)25(32)28-27-23(31)11-10-19-16(5)26-22-12-15(4)29-30(22)17(19)6/h12-14H,7-11H2,1-6H3,(H,27,31)(H,28,32).
What are the key properties of 3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide?
3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide has a molecular weight of 483.57 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 34250924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).