3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide

C13H15BrN4O2 — CID 54850904

IUPAC3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide
SMILESCCOc1ccc(-c2n[nH]c(C)c2C(=O)NN)cc1Br
InChIInChI=1S/C13H15BrN4O2/c1-3-20-10-5-4-8(6-9(10)14)12-11(13(19)16-15)7(2)17-18-12/h4-6H,3,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDQINUTGWJAMQGS-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.15
Rot. Bonds4

About 3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide

3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide (PubChem CID 54850904) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide
PubChem CID54850904
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide
SMILESCCOc1ccc(-c2n[nH]c(C)c2C(=O)NN)cc1Br
InChIInChI=1S/C13H15BrN4O2/c1-3-20-10-5-4-8(6-9(10)14)12-11(13(19)16-15)7(2)17-18-12/h4-6H,3,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDQINUTGWJAMQGS-UHFFFAOYSA-N
XLogP2.15
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide
CID 54851501
5-methyl-3-(2-pentoxyphenyl)-1H-pyrazole-4-carbohydrazide
CID 54851417
4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 113438118
3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 17073866
4-bromo-N-[4-(3,4-diethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide
CID 53206436
2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide
CID 54850454
3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826928
3-[(4-bromo-2,6-dimethylphenoxy)methyl]-5-methyl-1H-pyrazole-4-carbohydrazide
CID 54851541
ethyl 3-[3-(aminomethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxylate
CID 70082508
2-amino-4-(3-bromo-4-propoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 54851688
2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide
CID 54850545
3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534816

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide (CID 54850904) is 3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide is CCOc1ccc(-c2n[nH]c(C)c2C(=O)NN)cc1Br.
What is the InChIKey of 3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide?
The InChIKey is DQINUTGWJAMQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-3-20-10-5-4-8(6-9(10)14)12-11(13(19)16-15)7(2)17-18-12/h4-6H,3,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide?
3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide has a molecular weight of 339.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 54850904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).