2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

C13H20ClN7 — CID 105261547

IUPAC2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCc1cnc(C(NN)c2c(Cl)cnn2CCN(C)C)nc1
InChIInChI=1S/C13H20ClN7/c1-9-6-16-13(17-7-9)11(19-15)12-10(14)8-18-21(12)5-4-20(2)3/h6-8,11,19H,4-5,15H2,1-3H3
InChIKeyFGGCDTQQSHZSIG-UHFFFAOYSA-N
MW309.81 g/mol
LogP0.75
Rot. Bonds6

About 2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105261547) has the molecular formula C13H20ClN7 and a molecular weight of 309.81 g/mol. Its IUPAC name is 2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105261547
Molecular FormulaC13H20ClN7
Molecular Weight309.81 g/mol
Exact Mass309.15
IUPAC Name2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCc1cnc(C(NN)c2c(Cl)cnn2CCN(C)C)nc1
InChIInChI=1S/C13H20ClN7/c1-9-6-16-13(17-7-9)11(19-15)12-10(14)8-18-21(12)5-4-20(2)3/h6-8,11,19H,4-5,15H2,1-3H3
InChIKeyFGGCDTQQSHZSIG-UHFFFAOYSA-N
XLogP0.75
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.81
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

[(4-chloro-1-ethylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]hydrazine
CID 105261506
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-(2-methyl-4-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106756701
2-[4-chloro-5-[(5-fluoro-2-pyridinyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105248398
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
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
2-[4-chloro-5-[methylamino-(5-methylfuran-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105038992
2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039019

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 105261547) is 2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is Cc1cnc(C(NN)c2c(Cl)cnn2CCN(C)C)nc1.
What is the InChIKey of 2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is FGGCDTQQSHZSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN7/c1-9-6-16-13(17-7-9)11(19-15)12-10(14)8-18-21(12)5-4-20(2)3/h6-8,11,19H,4-5,15H2,1-3H3.
What are the key properties of 2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 309.81 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105261547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).