1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine

C12H22N6 — CID 154930834

IUPAC1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
SMILESC/N=C(\NC)Nc1cnn(C2CCN(C)CC2)c1
InChIInChI=1S/C12H22N6/c1-13-12(14-2)16-10-8-15-18(9-10)11-4-6-17(3)7-5-11/h8-9,11H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyYPUZGNRWSLPDII-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.77
Rot. Bonds2

About 1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine

1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine (PubChem CID 154930834) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
PubChem CID154930834
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
SMILESC/N=C(\NC)Nc1cnn(C2CCN(C)CC2)c1
InChIInChI=1S/C12H22N6/c1-13-12(14-2)16-10-8-15-18(9-10)11-4-6-17(3)7-5-11/h8-9,11H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyYPUZGNRWSLPDII-UHFFFAOYSA-N
XLogP0.77
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
CID 154930981
1,2-dimethyl-3-(1-methylpyrazol-4-yl)guanidine
CID 130971071
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 167939021
5,6-dimethyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 167934182
4-acetylcyclohexane-1-carbaldehyde;ethane;N-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-amine
CID 176683830
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 1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine?
The IUPAC name of 1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine (CID 154930834) is 1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine is C/N=C(\NC)Nc1cnn(C2CCN(C)CC2)c1.
What is the InChIKey of 1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine?
The InChIKey is YPUZGNRWSLPDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-13-12(14-2)16-10-8-15-18(9-10)11-4-6-17(3)7-5-11/h8-9,11H,4-7H2,1-3H3,(H2,13,14,16).
What are the key properties of 1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine?
1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine has a molecular weight of 250.35 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine is sourced from PubChem (CID 154930834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).