4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide

C18H23BrN4O4 — CID 56562247

IUPAC4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2n[nH]c(C(C)C)c2Br)cc1OC
InChIInChI=1S/C18H23BrN4O4/c1-5-8-27-12-7-6-11(9-13(12)26-4)17(24)22-23-18(25)16-14(19)15(10(2)3)20-21-16/h6-7,9-10H,5,8H2,1-4H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeySBHAQTXLEASCSO-UHFFFAOYSA-N
MW439.31 g/mol
LogP3.17
Rot. Bonds7

About 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide

4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide (PubChem CID 56562247) has the molecular formula C18H23BrN4O4 and a molecular weight of 439.31 g/mol. Its IUPAC name is 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide
PubChem CID56562247
Molecular FormulaC18H23BrN4O4
Molecular Weight439.31 g/mol
Exact Mass438.09
IUPAC Name4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2n[nH]c(C(C)C)c2Br)cc1OC
InChIInChI=1S/C18H23BrN4O4/c1-5-8-27-12-7-6-11(9-13(12)26-4)17(24)22-23-18(25)16-14(19)15(10(2)3)20-21-16/h6-7,9-10H,5,8H2,1-4H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeySBHAQTXLEASCSO-UHFFFAOYSA-N
XLogP3.17
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 51217733
N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide
CID 46491239
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567119
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
CID 8621227
N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889507
2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide
CID 25443168
N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440251
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide (CID 56562247) is 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2n[nH]c(C(C)C)c2Br)cc1OC.
What is the InChIKey of 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide?
The InChIKey is SBHAQTXLEASCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O4/c1-5-8-27-12-7-6-11(9-13(12)26-4)17(24)22-23-18(25)16-14(19)15(10(2)3)20-21-16/h6-7,9-10H,5,8H2,1-4H3,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide?
4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide has a molecular weight of 439.31 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 56562247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).