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

C13H15FN4O — CID 118962253

IUPAC1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(COC)n(Cc2ccccc2F)n1
InChIInChI=1S/C13H15FN4O/c1-19-8-10-6-12(13(15)16)17-18(10)7-9-4-2-3-5-11(9)14/h2-6H,7-8H2,1H3,(H3,15,16)
InChIKeyYSDRQYDARXAFRN-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.50
Rot. Bonds5

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

1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboximidamide (PubChem CID 118962253) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboximidamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboximidamide
PubChem CID118962253
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1cc(COC)n(Cc2ccccc2F)n1
InChIInChI=1S/C13H15FN4O/c1-19-8-10-6-12(13(15)16)17-18(10)7-9-4-2-3-5-11(9)14/h2-6H,7-8H2,1H3,(H3,15,16)
InChIKeyYSDRQYDARXAFRN-UHFFFAOYSA-N
XLogP1.50
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.50
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

methyl 1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboxylate
CID 118962307
1-[(2-fluorophenyl)methyl]-5-pentoxypyrazole-3-carboximidamide
CID 135161179
5-[(3Z)-4-aminooxybuta-1,3-dien-2-yl]-1-[(2-fluorophenyl)methyl]pyrazole-3-carboximidamide
CID 87527800
N'-amino-1-[(2-fluorophenyl)methyl]-5-methoxypyrazole-3-carboximidamide
CID 154338549
1-benzyl-5-methoxypyrazole-3-carboximidamide
CID 118962272
4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride
CID 159463183
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride
CID 86686151
1-[(2-fluorophenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 137155270
5-amino-1-[(2-fluorophenyl)methyl]-3-(methoxymethyl)pyrazole-4-carbonitrile
CID 100764700
2-[(2-fluorophenyl)methoxy]pyridine-3-carboximidamide
CID 63937561
6-amino-3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one;ethyl 2-amino-2-sulfanylideneacetate;1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide;hydrazine
CID 159232776
diethyl oxalate;ethyl 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 126572603

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboximidamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboximidamide (CID 118962253) is 1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboximidamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboximidamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboximidamide is [H]/N=C(\N)c1cc(COC)n(Cc2ccccc2F)n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboximidamide?
The InChIKey is YSDRQYDARXAFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-19-8-10-6-12(13(15)16)17-18(10)7-9-4-2-3-5-11(9)14/h2-6H,7-8H2,1H3,(H3,15,16).
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboximidamide?
1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboximidamide has a molecular weight of 262.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrazole-3-carboximidamide is sourced from PubChem (CID 118962253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).