1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide

C12H13FN4 — CID 90424662

IUPAC1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)n(Cc2ccccc2F)n1
InChIInChI=1S/C12H13FN4/c1-8-6-11(12(14)15)16-17(8)7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H3,14,15)
InChIKeyDTXDDRIQRPBSJG-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.66
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide

1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide (PubChem CID 90424662) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide
PubChem CID90424662
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)n(Cc2ccccc2F)n1
InChIInChI=1S/C12H13FN4/c1-8-6-11(12(14)15)16-17(8)7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H3,14,15)
InChIKeyDTXDDRIQRPBSJG-UHFFFAOYSA-N
XLogP1.66
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide 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

CID 206697
CID 206697
CID 769146
CID 769146
CID 517779
CID 517779
CID 818484
CID 818484
CID 1506733
CID 1506733
CID 137946
CID 137946
CID 43817898
CID 43817898
CID 6483872
CID 6483872
CID 5303281
CID 5303281
CID 45273537
CID 45273537
CID 573307
CID 573307
CID 573288
CID 573288

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide (CID 90424662) is 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide is [H]/N=C(\N)c1cc(C)n(Cc2ccccc2F)n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide?
The InChIKey is DTXDDRIQRPBSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-8-6-11(12(14)15)16-17(8)7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H3,14,15).
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide?
1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide has a molecular weight of 232.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboximidamide is sourced from PubChem (CID 90424662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).