N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide

C21H24N4O5 — CID 34390006

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide
SMILESCOc1ccc2c(C)c(CCC(=O)NNC(=O)Cn3nc(C)cc3C)c(=O)oc2c1
InChIInChI=1S/C21H24N4O5/c1-12-9-13(2)25(24-12)11-20(27)23-22-19(26)8-7-17-14(3)16-6-5-15(29-4)10-18(16)30-21(17)28/h5-6,9-10H,7-8,11H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyZEQZIKCNTVOXOR-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.70
Rot. Bonds6

About N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide (PubChem CID 34390006) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide
PubChem CID34390006
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide
SMILESCOc1ccc2c(C)c(CCC(=O)NNC(=O)Cn3nc(C)cc3C)c(=O)oc2c1
InChIInChI=1S/C21H24N4O5/c1-12-9-13(2)25(24-12)11-20(27)23-22-19(26)8-7-17-14(3)16-6-5-15(29-4)10-18(16)30-21(17)28/h5-6,9-10H,7-8,11H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyZEQZIKCNTVOXOR-UHFFFAOYSA-N
XLogP1.70
TPSA115.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 43064323
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide
CID 34988498
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide
CID 51297554
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 32605712
(2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoic acid
CID 907925
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4914211
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445603
dimethyl 5-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 46650496
(2R)-2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoate
CID 7086444
N-(2,4-dimethylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51272005
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 16604979
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 51272048

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide (CID 34390006) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide is COc1ccc2c(C)c(CCC(=O)NNC(=O)Cn3nc(C)cc3C)c(=O)oc2c1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide?
The InChIKey is ZEQZIKCNTVOXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-12-9-13(2)25(24-12)11-20(27)23-22-19(26)8-7-17-14(3)16-6-5-15(29-4)10-18(16)30-21(17)28/h5-6,9-10H,7-8,11H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide has a molecular weight of 412.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide is sourced from PubChem (CID 34390006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).