2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine

C18H20N6 — CID 111039426

IUPAC2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\Cc1cnn(-c2ccccc2)c1)NCCc1ccccn1
InChIInChI=1S/C18H20N6/c19-18(21-11-9-16-6-4-5-10-20-16)22-12-15-13-23-24(14-15)17-7-2-1-3-8-17/h1-8,10,13-14H,9,11-12H2,(H3,19,21,22)
InChIKeyZLAILEVFQSNUDN-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.91
Rot. Bonds6

About 2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine

2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111039426) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111039426
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\Cc1cnn(-c2ccccc2)c1)NCCc1ccccn1
InChIInChI=1S/C18H20N6/c19-18(21-11-9-16-6-4-5-10-20-16)22-12-15-13-23-24(14-15)17-7-2-1-3-8-17/h1-8,10,13-14H,9,11-12H2,(H3,19,21,22)
InChIKeyZLAILEVFQSNUDN-UHFFFAOYSA-N
XLogP1.91
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.91
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

1-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111193892
2-(2-methylpropyl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111039957
2-[[4-(phenoxymethyl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111054276
2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111911487
2-[(3-hydroxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 75532909
2-[(2-methylphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111031430
2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111038291
2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111037288
1-ethyl-3-(2-phenylethyl)-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111134041
2-[(4-propan-2-yloxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111045369
2-[(3-methyl-2-pyridinyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111802397
2-(isoquinolin-1-ylmethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111039336

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine (CID 111039426) is 2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine is N/C(=N\Cc1cnn(-c2ccccc2)c1)NCCc1ccccn1.
What is the InChIKey of 2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is ZLAILEVFQSNUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c19-18(21-11-9-16-6-4-5-10-20-16)22-12-15-13-23-24(14-15)17-7-2-1-3-8-17/h1-8,10,13-14H,9,11-12H2,(H3,19,21,22).
What are the key properties of 2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 320.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111039426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).