2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine

C13H18ClFN6 — CID 105248398

IUPAC2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1C(NN)c1ccc(F)cn1
InChIInChI=1S/C13H18ClFN6/c1-20(2)5-6-21-13(10(14)8-18-21)12(19-16)11-4-3-9(15)7-17-11/h3-4,7-8,12,19H,5-6,16H2,1-2H3
InChIKeyIYRMWQQNNAVPRG-UHFFFAOYSA-N
MW312.78 g/mol
LogP1.18
Rot. Bonds6

About 2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105248398) has the molecular formula C13H18ClFN6 and a molecular weight of 312.78 g/mol. Its IUPAC name is 2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105248398
Molecular FormulaC13H18ClFN6
Molecular Weight312.78 g/mol
Exact Mass312.13
IUPAC Name2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1C(NN)c1ccc(F)cn1
InChIInChI=1S/C13H18ClFN6/c1-20(2)5-6-21-13(10(14)8-18-21)12(19-16)11-4-3-9(15)7-17-11/h3-4,7-8,12,19H,5-6,16H2,1-2H3
InChIKeyIYRMWQQNNAVPRG-UHFFFAOYSA-N
XLogP1.18
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 51.18
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

2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105193337
2-[4-chloro-5-[(2-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105211079
2-[4-chloro-5-[hydrazinyl(1H-1,2,4-triazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105230485
2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105261547
2-[4-chloro-5-[hydrazinyl-(2-methyl-4-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106756701
2-[4-chloro-5-[methylamino-(6-methyl-3-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105182397
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-difluoroethanamine
CID 103517108
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol
CID 114644772
2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105210023
2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039019
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,3-dimethylbutan-1-amine
CID 105039130
2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105235309

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 105248398) is 2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ncc(Cl)c1C(NN)c1ccc(F)cn1.
What is the InChIKey of 2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is IYRMWQQNNAVPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN6/c1-20(2)5-6-21-13(10(14)8-18-21)12(19-16)11-4-3-9(15)7-17-11/h3-4,7-8,12,19H,5-6,16H2,1-2H3.
What are the key properties of 2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 312.78 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105248398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).