2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine

C12H20N6 — CID 154930981

IUPAC2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
SMILESC=N/C(=N\C)Nc1cnn(C2CCN(C)CC2)c1
InChIInChI=1S/C12H20N6/c1-13-12(14-2)16-10-8-15-18(9-10)11-4-6-17(3)7-5-11/h8-9,11H,1,4-7H2,2-3H3,(H,14,16)
InChIKeyDZTUSWQPJZQLPA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.25
Rot. Bonds2

About 2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine

2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine (PubChem CID 154930981) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine.

Molecular Properties

Compound Name2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
PubChem CID154930981
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
SMILESC=N/C(=N\C)Nc1cnn(C2CCN(C)CC2)c1
InChIInChI=1S/C12H20N6/c1-13-12(14-2)16-10-8-15-18(9-10)11-4-6-17(3)7-5-11/h8-9,11H,1,4-7H2,2-3H3,(H,14,16)
InChIKeyDZTUSWQPJZQLPA-UHFFFAOYSA-N
XLogP1.25
TPSA57.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
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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Related Compounds

1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
CID 154930834
2-ethyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine
CID 154930924
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 167939021
2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine
CID 166160032
5,6-dimethyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 167934182
N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide
CID 130377121
5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 172824528
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide
CID 138010977
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 167966444
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418
1-(1-methylpiperidin-4-yl)pyrazole-4-thiol
CID 149139949
2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide
CID 167838097

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine?
The IUPAC name of 2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine (CID 154930981) is 2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine.
What is the SMILES notation for 2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine?
The canonical SMILES for 2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine is C=N/C(=N\C)Nc1cnn(C2CCN(C)CC2)c1.
What is the InChIKey of 2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine?
The InChIKey is DZTUSWQPJZQLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-13-12(14-2)16-10-8-15-18(9-10)11-4-6-17(3)7-5-11/h8-9,11H,1,4-7H2,2-3H3,(H,14,16).
What are the key properties of 2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine?
2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine has a molecular weight of 248.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine is sourced from PubChem (CID 154930981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).