4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide

C14H17ClN4O2 — CID 19618822

IUPAC4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide
SMILESCC(C)c1ccc(OCn2cc(Cl)c(C(=O)NN)n2)cc1
InChIInChI=1S/C14H17ClN4O2/c1-9(2)10-3-5-11(6-4-10)21-8-19-7-12(15)13(18-19)14(20)17-16/h3-7,9H,8,16H2,1-2H3,(H,17,20)
InChIKeyLBIBRWQRWRJNQO-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.30
Rot. Bonds5

About 4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide

4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide (PubChem CID 19618822) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide
PubChem CID19618822
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide
SMILESCC(C)c1ccc(OCn2cc(Cl)c(C(=O)NN)n2)cc1
InChIInChI=1S/C14H17ClN4O2/c1-9(2)10-3-5-11(6-4-10)21-8-19-7-12(15)13(18-19)14(20)17-16/h3-7,9H,8,16H2,1-2H3,(H,17,20)
InChIKeyLBIBRWQRWRJNQO-UHFFFAOYSA-N
XLogP2.30
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.30
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-methylphenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618842
4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618755
4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 35522426
4-chloro-1-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618748
N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275845
N-(3-methoxypropyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276079
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275922
1-[(4-propan-2-ylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide
CID 19275815
4-chloro-1-[(4-nitrophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618781
dimethyl 5-[[1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19275813
N-hexyl-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275835

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide?
The IUPAC name of 4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide (CID 19618822) is 4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide.
What is the SMILES notation for 4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide?
The canonical SMILES for 4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide is CC(C)c1ccc(OCn2cc(Cl)c(C(=O)NN)n2)cc1.
What is the InChIKey of 4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide?
The InChIKey is LBIBRWQRWRJNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-9(2)10-3-5-11(6-4-10)21-8-19-7-12(15)13(18-19)14(20)17-16/h3-7,9H,8,16H2,1-2H3,(H,17,20).
What are the key properties of 4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide?
4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide has a molecular weight of 308.77 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbohydrazide is sourced from PubChem (CID 19618822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).