N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide

C12H13FN4O2 — CID 102884080

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cn[nH]c2N)c(F)c1
InChIInChI=1S/C12H13FN4O2/c1-19-8-2-3-9(10(13)4-8)12(18)15-5-7-6-16-17-11(7)14/h2-4,6H,5H2,1H3,(H,15,18)(H3,14,16,17)
InChIKeyDRXPSOUAZJXYAQ-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.07
Rot. Bonds4

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide (PubChem CID 102884080) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
PubChem CID102884080
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cn[nH]c2N)c(F)c1
InChIInChI=1S/C12H13FN4O2/c1-19-8-2-3-9(10(13)4-8)12(18)15-5-7-6-16-17-11(7)14/h2-4,6H,5H2,1H3,(H,15,18)(H3,14,16,17)
InChIKeyDRXPSOUAZJXYAQ-UHFFFAOYSA-N
XLogP1.07
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 102882143
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
CID 103860981
2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 113227599
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736054
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide
CID 79531317
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
2-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 102882068
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-methyl-4-nitrobenzamide
CID 79530745
ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
CID 87037221
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-hydroxynaphthalene-2-carboxamide
CID 79530279

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide (CID 102884080) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCc2cn[nH]c2N)c(F)c1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide?
The InChIKey is DRXPSOUAZJXYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-19-8-2-3-9(10(13)4-8)12(18)15-5-7-6-16-17-11(7)14/h2-4,6H,5H2,1H3,(H,15,18)(H3,14,16,17).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide has a molecular weight of 264.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 102884080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).