[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine

C15H21ClN4O — CID 105205637

IUPAC[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(CCc1ccccc1)NN
InChIInChI=1S/C15H21ClN4O/c1-21-10-9-20-15(13(16)11-18-20)14(19-17)8-7-12-5-3-2-4-6-12/h2-6,11,14,19H,7-10,17H2,1H3
InChIKeyMKYGDJZWQGXYSA-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.32
Rot. Bonds8

About [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine

[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine (PubChem CID 105205637) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine.

Molecular Properties

Compound Name[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine
PubChem CID105205637
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(CCc1ccccc1)NN
InChIInChI=1S/C15H21ClN4O/c1-21-10-9-20-15(13(16)11-18-20)14(19-17)8-7-12-5-3-2-4-6-12/h2-6,11,14,19H,7-10,17H2,1H3
InChIKeyMKYGDJZWQGXYSA-UHFFFAOYSA-N
XLogP2.32
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202075
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-chlorophenyl)ethyl]hydrazine
CID 105209479
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-chlorophenyl)ethyl]hydrazine
CID 105197611
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-pyridin-2-ylethyl]hydrazine
CID 105199815
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(4-methylphenyl)propan-1-ol
CID 105132635
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-pyridin-4-ylpropan-1-ol
CID 105132599
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine
CID 105205931
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(3-methylphenyl)propan-1-amine
CID 105190068
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
CID 105265036
3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine
CID 114664422
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpentyl]hydrazine
CID 105342381
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266007

Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine?
The IUPAC name of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine (CID 105205637) is [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine.
What is the SMILES notation for [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine?
The canonical SMILES for [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine is COCCn1ncc(Cl)c1C(CCc1ccccc1)NN.
What is the InChIKey of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine?
The InChIKey is MKYGDJZWQGXYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-21-10-9-20-15(13(16)11-18-20)14(19-17)8-7-12-5-3-2-4-6-12/h2-6,11,14,19H,7-10,17H2,1H3.
What are the key properties of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine?
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine has a molecular weight of 308.81 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine is sourced from PubChem (CID 105205637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).