2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide

C12H14FN5O — CID 79524482

IUPAC2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide
SMILESCn1ncc(CNc2cccc(F)c2C(N)=O)c1N
InChIInChI=1S/C12H14FN5O/c1-18-11(14)7(6-17-18)5-16-9-4-2-3-8(13)10(9)12(15)19/h2-4,6,16H,5,14H2,1H3,(H2,15,19)
InChIKeyPPXLVZSBKOINML-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.85
Rot. Bonds4

About 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide

2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide (PubChem CID 79524482) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide
PubChem CID79524482
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide
SMILESCn1ncc(CNc2cccc(F)c2C(N)=O)c1N
InChIInChI=1S/C12H14FN5O/c1-18-11(14)7(6-17-18)5-16-9-4-2-3-8(13)10(9)12(15)19/h2-4,6,16H,5,14H2,1H3,(H2,15,19)
InChIKeyPPXLVZSBKOINML-UHFFFAOYSA-N
XLogP0.85
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 107015976
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-fluorobenzamide
CID 79523714
4-[(3-chloro-2-nitroanilino)methyl]-1-methylpyrazol-5-amine
CID 104839420
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79529330
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-chlorobenzonitrile
CID 79523799
4-[(4-fluoro-2-nitroanilino)methyl]-1-methylpyrazol-5-amine
CID 79523892
2-fluoro-6-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 79522275
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzenecarbothioamide
CID 115990211
2-[4-[(2-carbamoyl-3-fluoroanilino)methyl]triazol-1-yl]acetic acid
CID 115457868
4-[(4-fluoro-5-methyl-2-nitroanilino)methyl]-1-methylpyrazol-5-amine
CID 103594222
2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide
CID 79512483
2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide
CID 79521990

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide?
The IUPAC name of 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide (CID 79524482) is 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide.
What is the SMILES notation for 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide?
The canonical SMILES for 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide is Cn1ncc(CNc2cccc(F)c2C(N)=O)c1N.
What is the InChIKey of 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide?
The InChIKey is PPXLVZSBKOINML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-18-11(14)7(6-17-18)5-16-9-4-2-3-8(13)10(9)12(15)19/h2-4,6,16H,5,14H2,1H3,(H2,15,19).
What are the key properties of 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide?
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide has a molecular weight of 263.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide is sourced from PubChem (CID 79524482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).