N'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide

C14H18ClN5 — CID 73459082

IUPACN'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide
SMILESCc1cc(N=CN(C)C)n(-c2nc(C)c(Cl)cc2C)n1
InChIInChI=1S/C14H18ClN5/c1-9-6-12(15)11(3)17-14(9)20-13(7-10(2)18-20)16-8-19(4)5/h6-8H,1-5H3
InChIKeyOTFJMCYSOPYXGQ-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.07
Rot. Bonds3

About N'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide

N'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide (PubChem CID 73459082) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is N'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide
PubChem CID73459082
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC NameN'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide
SMILESCc1cc(N=CN(C)C)n(-c2nc(C)c(Cl)cc2C)n1
InChIInChI=1S/C14H18ClN5/c1-9-6-12(15)11(3)17-14(9)20-13(7-10(2)18-20)16-8-19(4)5/h6-8H,1-5H3
InChIKeyOTFJMCYSOPYXGQ-UHFFFAOYSA-N
XLogP3.07
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide (CID 73459082) is N'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide is Cc1cc(N=CN(C)C)n(-c2nc(C)c(Cl)cc2C)n1.
What is the InChIKey of N'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide?
The InChIKey is OTFJMCYSOPYXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-9-6-12(15)11(3)17-14(9)20-13(7-10(2)18-20)16-8-19(4)5/h6-8H,1-5H3.
What are the key properties of N'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide?
N'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide has a molecular weight of 291.79 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-methylpyrazol-3-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 73459082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).