2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine

C14H26ClN5O — CID 105335717

IUPAC2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1C(CCC1CCCO1)NN
InChIInChI=1S/C14H26ClN5O/c1-19(2)7-8-20-14(12(15)10-17-20)13(18-16)6-5-11-4-3-9-21-11/h10-11,13,18H,3-9,16H2,1-2H3
InChIKeyRUXIAFNBKYAKJS-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.56
Rot. Bonds8

About 2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105335717) has the molecular formula C14H26ClN5O and a molecular weight of 315.85 g/mol. Its IUPAC name is 2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105335717
Molecular FormulaC14H26ClN5O
Molecular Weight315.85 g/mol
Exact Mass315.18
IUPAC Name2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1C(CCC1CCCO1)NN
InChIInChI=1S/C14H26ClN5O/c1-19(2)7-8-20-14(12(15)10-17-20)13(18-16)6-5-11-4-3-9-21-11/h10-11,13,18H,3-9,16H2,1-2H3
InChIKeyRUXIAFNBKYAKJS-UHFFFAOYSA-N
XLogP1.56
TPSA68.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.56
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-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(oxolan-2-yl)propan-1-amine
CID 105041029
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198590
2-[5-[1-hydrazinyl-2-(oxolan-2-yl)ethyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105198802
[1-(4-methoxy-1-propylpyrazol-5-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 105339773
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol
CID 115834359
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine
CID 105038978
1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115836748
2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105235309
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114647464
[1-(4-chloro-1-methylpyrazol-5-yl)-3-cyclopentylpropyl]hydrazine
CID 105338877
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxan-2-yl)ethanamine
CID 114660462
2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105210023

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 105335717) is 2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ncc(Cl)c1C(CCC1CCCO1)NN.
What is the InChIKey of 2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is RUXIAFNBKYAKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN5O/c1-19(2)7-8-20-14(12(15)10-17-20)13(18-16)6-5-11-4-3-9-21-11/h10-11,13,18H,3-9,16H2,1-2H3.
What are the key properties of 2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 315.85 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105335717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).