1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine

C19H19FN6 — CID 143979855

IUPAC1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine
SMILESN/C=C(\N/C(N)=N/Cc1cc(-c2ccccc2)n[nH]1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN6/c20-15-8-6-14(7-9-15)18(11-21)24-19(22)23-12-16-10-17(26-25-16)13-4-2-1-3-5-13/h1-11H,12,21H2,(H,25,26)(H3,22,23,24)/b18-11-
InChIKeyCNOQHSQMTMZSKE-WQRHYEAKSA-N
MW350.40 g/mol
LogP2.58
Rot. Bonds5

About 1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine

1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine (PubChem CID 143979855) has the molecular formula C19H19FN6 and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine
PubChem CID143979855
Molecular FormulaC19H19FN6
Molecular Weight350.40 g/mol
Exact Mass350.17
IUPAC Name1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine
SMILESN/C=C(\N/C(N)=N/Cc1cc(-c2ccccc2)n[nH]1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN6/c20-15-8-6-14(7-9-15)18(11-21)24-19(22)23-12-16-10-17(26-25-16)13-4-2-1-3-5-13/h1-11H,12,21H2,(H,25,26)(H3,22,23,24)/b18-11-
InChIKeyCNOQHSQMTMZSKE-WQRHYEAKSA-N
XLogP2.58
TPSA105.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine?
The IUPAC name of 1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine (CID 143979855) is 1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine?
The canonical SMILES for 1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine is N/C=C(\N/C(N)=N/Cc1cc(-c2ccccc2)n[nH]1)c1ccc(F)cc1.
What is the InChIKey of 1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine?
The InChIKey is CNOQHSQMTMZSKE-WQRHYEAKSA-N. The full InChI is InChI=1S/C19H19FN6/c20-15-8-6-14(7-9-15)18(11-21)24-19(22)23-12-16-10-17(26-25-16)13-4-2-1-3-5-13/h1-11H,12,21H2,(H,25,26)(H3,22,23,24)/b18-11-.
What are the key properties of 1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine?
1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine has a molecular weight of 350.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]-2-[(3-phenyl-1H-pyrazol-5-yl)methyl]guanidine is sourced from PubChem (CID 143979855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).