5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide

C17H15ClFN5 — CID 90154158

IUPAC5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1nc(-c2ccc(F)cc2)c(Cc2cccc(Cl)c2)c1N
InChIInChI=1S/C17H15ClFN5/c18-12-3-1-2-10(8-12)9-14-15(11-4-6-13(19)7-5-11)23-24(16(14)20)17(21)22/h1-8H,9,20H2,(H3,21,22)
InChIKeyGGYWSKPRBYIFDG-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.26
Rot. Bonds3

About 5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide

5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide (PubChem CID 90154158) has the molecular formula C17H15ClFN5 and a molecular weight of 343.79 g/mol. Its IUPAC name is 5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide.

Molecular Properties

Compound Name5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide
PubChem CID90154158
Molecular FormulaC17H15ClFN5
Molecular Weight343.79 g/mol
Exact Mass343.10
IUPAC Name5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1nc(-c2ccc(F)cc2)c(Cc2cccc(Cl)c2)c1N
InChIInChI=1S/C17H15ClFN5/c18-12-3-1-2-10(8-12)9-14-15(11-4-6-13(19)7-5-11)23-24(16(14)20)17(21)22/h1-8H,9,20H2,(H3,21,22)
InChIKeyGGYWSKPRBYIFDG-UHFFFAOYSA-N
XLogP3.26
TPSA93.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.26
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide?
The IUPAC name of 5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide (CID 90154158) is 5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide.
What is the SMILES notation for 5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide?
The canonical SMILES for 5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide is [H]/N=C(\N)n1nc(-c2ccc(F)cc2)c(Cc2cccc(Cl)c2)c1N.
What is the InChIKey of 5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide?
The InChIKey is GGYWSKPRBYIFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5/c18-12-3-1-2-10(8-12)9-14-15(11-4-6-13(19)7-5-11)23-24(16(14)20)17(21)22/h1-8H,9,20H2,(H3,21,22).
What are the key properties of 5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide?
5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide has a molecular weight of 343.79 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)pyrazole-1-carboximidamide is sourced from PubChem (CID 90154158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).