1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide

C23H25ClN4O5 — CID 43058699

IUPAC1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc(OC)c1OC
InChIInChI=1S/C23H25ClN4O5/c1-13(2)20-17(12-25-28(20)16-8-6-7-15(24)11-16)23(30)27-26-22(29)14-9-18(31-3)21(33-5)19(10-14)32-4/h6-13H,1-5H3,(H,26,29)(H,27,30)
InChIKeyVUJLTFFPKMFCNB-UHFFFAOYSA-N
MW472.93 g/mol
LogP3.75
Rot. Bonds7

About 1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide

1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide (PubChem CID 43058699) has the molecular formula C23H25ClN4O5 and a molecular weight of 472.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
PubChem CID43058699
Molecular FormulaC23H25ClN4O5
Molecular Weight472.93 g/mol
Exact Mass472.15
IUPAC Name1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc(OC)c1OC
InChIInChI=1S/C23H25ClN4O5/c1-13(2)20-17(12-25-28(20)16-8-6-7-15(24)11-16)23(30)27-26-22(29)14-9-18(31-3)21(33-5)19(10-14)32-4/h6-13H,1-5H3,(H,26,29)(H,27,30)
InChIKeyVUJLTFFPKMFCNB-UHFFFAOYSA-N
XLogP3.75
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 53.75
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

1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
1-(3-chlorophenyl)-5-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78851760
1-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 52570608
1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide
CID 46587147
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide
CID 46671387
1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide
CID 30889196
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 112816075
1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 37438164
1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 55688332
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46583951
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide (CID 43058699) is 1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide is COc1cc(C(=O)NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc(OC)c1OC.
What is the InChIKey of 1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide?
The InChIKey is VUJLTFFPKMFCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O5/c1-13(2)20-17(12-25-28(20)16-8-6-7-15(24)11-16)23(30)27-26-22(29)14-9-18(31-3)21(33-5)19(10-14)32-4/h6-13H,1-5H3,(H,26,29)(H,27,30).
What are the key properties of 1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide?
1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide has a molecular weight of 472.93 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 43058699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).