1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine

C12H24ClN5O — CID 105238898

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine
SMILESCOCCn1ncc(Cl)c1C(NN)C(C)(C)N(C)C
InChIInChI=1S/C12H24ClN5O/c1-12(2,17(3)4)11(16-14)10-9(13)8-15-18(10)6-7-19-5/h8,11,16H,6-7,14H2,1-5H3
InChIKeySKHPUYJCCUQCBM-UHFFFAOYSA-N
MW289.81 g/mol
LogP1.03
Rot. Bonds7

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine (PubChem CID 105238898) has the molecular formula C12H24ClN5O and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine
PubChem CID105238898
Molecular FormulaC12H24ClN5O
Molecular Weight289.81 g/mol
Exact Mass289.17
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine
SMILESCOCCn1ncc(Cl)c1C(NN)C(C)(C)N(C)C
InChIInChI=1S/C12H24ClN5O/c1-12(2,17(3)4)11(16-14)10-9(13)8-15-18(10)6-7-19-5/h8,11,16H,6-7,14H2,1-5H3
InChIKeySKHPUYJCCUQCBM-UHFFFAOYSA-N
XLogP1.03
TPSA68.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]-2,2-difluoroethyl]hydrazine
CID 105265036
[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]butylhydrazine
CID 105202075
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpentyl]hydrazine
CID 105342381
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-chlorophenyl)ethyl]hydrazine
CID 105209479
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
CID 105204303
[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]-2,2-dimethoxyethanamine
CID 114657526
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine
CID 114661699
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656662
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine
CID 105205637
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105342343

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine (CID 105238898) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine is COCCn1ncc(Cl)c1C(NN)C(C)(C)N(C)C.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine?
The InChIKey is SKHPUYJCCUQCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClN5O/c1-12(2,17(3)4)11(16-14)10-9(13)8-15-18(10)6-7-19-5/h8,11,16H,6-7,14H2,1-5H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 105238898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).