[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine

C11H21ClN4O — CID 105336873

IUPAC[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine
SMILESCCOCCC(NN)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C11H21ClN4O/c1-4-17-6-5-10(15-13)11-9(12)7-14-16(11)8(2)3/h7-8,10,15H,4-6,13H2,1-3H3
InChIKeyWRYHLCSPEVYJAF-UHFFFAOYSA-N
MW260.77 g/mol
LogP2.05
Rot. Bonds7

About [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine

[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine (PubChem CID 105336873) has the molecular formula C11H21ClN4O and a molecular weight of 260.77 g/mol. Its IUPAC name is [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine
PubChem CID105336873
Molecular FormulaC11H21ClN4O
Molecular Weight260.77 g/mol
Exact Mass260.14
IUPAC Name[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine
SMILESCCOCCC(NN)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C11H21ClN4O/c1-4-17-6-5-10(15-13)11-9(12)7-14-16(11)8(2)3/h7-8,10,15H,4-6,13H2,1-3H3
InChIKeyWRYHLCSPEVYJAF-UHFFFAOYSA-N
XLogP2.05
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-propan-2-ylpyrazol-5-yl)-4-ethoxybutan-1-ol
CID 105128291
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine
CID 114655949
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103150042
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 114649102
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202075
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine
CID 114652830
1-(4-chloro-1-ethylpyrazol-5-yl)-3-ethoxy-N-methylpropan-1-amine
CID 105183166
[3-ethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propyl]hydrazine
CID 105339146
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propan-2-ylpentan-1-amine
CID 114657485
[3-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propyl]hydrazine
CID 105339460
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethoxyethyl]hydrazine
CID 105246185
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648475

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine?
The IUPAC name of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine (CID 105336873) is [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine?
The canonical SMILES for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine is CCOCCC(NN)c1c(Cl)cnn1C(C)C.
What is the InChIKey of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine?
The InChIKey is WRYHLCSPEVYJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN4O/c1-4-17-6-5-10(15-13)11-9(12)7-14-16(11)8(2)3/h7-8,10,15H,4-6,13H2,1-3H3.
What are the key properties of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine?
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine has a molecular weight of 260.77 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine is sourced from PubChem (CID 105336873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).