4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide

C12H13ClN4O2 — CID 19618842

IUPAC4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide
SMILESCc1ccc(OCn2cc(Cl)c(C(=O)NN)n2)cc1
InChIInChI=1S/C12H13ClN4O2/c1-8-2-4-9(5-3-8)19-7-17-6-10(13)11(16-17)12(18)15-14/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyOYIILWUBCYZQTQ-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.48
Rot. Bonds4

About 4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide

4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide (PubChem CID 19618842) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide
PubChem CID19618842
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide
SMILESCc1ccc(OCn2cc(Cl)c(C(=O)NN)n2)cc1
InChIInChI=1S/C12H13ClN4O2/c1-8-2-4-9(5-3-8)19-7-17-6-10(13)11(16-17)12(18)15-14/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyOYIILWUBCYZQTQ-UHFFFAOYSA-N
XLogP1.48
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618822
4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618755
4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 7017348
4-chloro-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618768
4-chloro-1-[(3-methylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618777
4-chloro-1-[(4-nitrophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618781
4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine
CID 19618340
1-[(4-methylphenoxy)methyl]-1,2,4-triazole
CID 23517766
4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618765
4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine
CID 19618327
1-[(4-tert-butylphenoxy)methyl]-4-chloropyrazol-3-amine
CID 19618329
4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid
CID 19618760

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide?
The IUPAC name of 4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide (CID 19618842) is 4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide.
What is the SMILES notation for 4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide?
The canonical SMILES for 4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide is Cc1ccc(OCn2cc(Cl)c(C(=O)NN)n2)cc1.
What is the InChIKey of 4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide?
The InChIKey is OYIILWUBCYZQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-8-2-4-9(5-3-8)19-7-17-6-10(13)11(16-17)12(18)15-14/h2-6H,7,14H2,1H3,(H,15,18).
What are the key properties of 4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide?
4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide has a molecular weight of 280.72 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-methylphenoxy)methyl]pyrazole-3-carbohydrazide is sourced from PubChem (CID 19618842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).