N'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide

C20H23N5O3 — CID 46586439

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESCc1cc(C)n2ncc(C(=O)NNC(=O)C(C)Oc3cccc(C)c3C)c2n1
InChIInChI=1S/C20H23N5O3/c1-11-7-6-8-17(14(11)4)28-15(5)19(26)23-24-20(27)16-10-21-25-13(3)9-12(2)22-18(16)25/h6-10,15H,1-5H3,(H,23,26)(H,24,27)
InChIKeyJEVNMOHAOYUAQR-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.19
Rot. Bonds4

About N'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide

N'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide (PubChem CID 46586439) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
PubChem CID46586439
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESCc1cc(C)n2ncc(C(=O)NNC(=O)C(C)Oc3cccc(C)c3C)c2n1
InChIInChI=1S/C20H23N5O3/c1-11-7-6-8-17(14(11)4)28-15(5)19(26)23-24-20(27)16-10-21-25-13(3)9-12(2)22-18(16)25/h6-10,15H,1-5H3,(H,23,26)(H,24,27)
InChIKeyJEVNMOHAOYUAQR-UHFFFAOYSA-N
XLogP2.19
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440692
2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 42996241
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589345
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 46587095
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide
CID 8640532
1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 46537226
5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 43011953
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide
CID 9425429
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide
CID 9425399
N'-[2-(2,3-dimethylphenoxy)propanoyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide
CID 43046546
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 39910208

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide (CID 46586439) is N'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide is Cc1cc(C)n2ncc(C(=O)NNC(=O)C(C)Oc3cccc(C)c3C)c2n1.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The InChIKey is JEVNMOHAOYUAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-11-7-6-8-17(14(11)4)28-15(5)19(26)23-24-20(27)16-10-21-25-13(3)9-12(2)22-18(16)25/h6-10,15H,1-5H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide has a molecular weight of 381.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylphenoxy)propanoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide is sourced from PubChem (CID 46586439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).