1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine

C19H22N6 — CID 110969018

IUPAC1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(-n2cccn2)cc1)NCc1ccccn1
InChIInChI=1S/C19H22N6/c1-2-20-19(23-15-17-6-3-4-11-21-17)22-14-16-7-9-18(10-8-16)25-13-5-12-24-25/h3-13H,2,14-15H2,1H3,(H2,20,22,23)
InChIKeyPBUIDENHEJMCBQ-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.52
Rot. Bonds6

About 1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine

1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine (PubChem CID 110969018) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine
PubChem CID110969018
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(-n2cccn2)cc1)NCc1ccccn1
InChIInChI=1S/C19H22N6/c1-2-20-19(23-15-17-6-3-4-11-21-17)22-14-16-7-9-18(10-8-16)25-13-5-12-24-25/h3-13H,2,14-15H2,1H3,(H2,20,22,23)
InChIKeyPBUIDENHEJMCBQ-UHFFFAOYSA-N
XLogP2.52
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.52
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'}

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Related Compounds

2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110953152
1-ethyl-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967727
1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111940723
1-ethyl-3-(furan-2-ylmethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110937811
1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940722
1-ethyl-3-(2-phenoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111005324
4-[[[ethylamino-(pyridin-2-ylmethylamino)methylidene]amino]methyl]benzamide
CID 110969558
1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111905941
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111230098
1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 111863868
methyl N-[4-[[[ethylamino-(pyridin-2-ylmethylamino)methylidene]amino]methyl]phenyl]carbamate
CID 110970081
methyl N-[4-[[[ethylamino-(pyridin-2-ylmethylamino)methylidene]amino]methyl]phenyl]carbamate;hydroiodide
CID 110970080

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine (CID 110969018) is 1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccc(-n2cccn2)cc1)NCc1ccccn1.
What is the InChIKey of 1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine?
The InChIKey is PBUIDENHEJMCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-20-19(23-15-17-6-3-4-11-21-17)22-14-16-7-9-18(10-8-16)25-13-5-12-24-25/h3-13H,2,14-15H2,1H3,(H2,20,22,23).
What are the key properties of 1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine?
1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine has a molecular weight of 334.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 110969018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).