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

C12H14FN5O — CID 79523714

IUPAC2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-fluorobenzamide
SMILESCn1ncc(CNc2ccc(F)cc2C(N)=O)c1N
InChIInChI=1S/C12H14FN5O/c1-18-11(14)7(6-17-18)5-16-10-3-2-8(13)4-9(10)12(15)19/h2-4,6,16H,5,14H2,1H3,(H2,15,19)
InChIKeyLYBWSDFEJZTPMZ-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.85
Rot. Bonds4

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

2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-fluorobenzamide (PubChem CID 79523714) 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]-5-fluorobenzamide.

Molecular Properties

Compound Name2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-fluorobenzamide
PubChem CID79523714
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-fluorobenzamide
SMILESCn1ncc(CNc2ccc(F)cc2C(N)=O)c1N
InChIInChI=1S/C12H14FN5O/c1-18-11(14)7(6-17-18)5-16-10-3-2-8(13)4-9(10)12(15)19/h2-4,6,16H,5,14H2,1H3,(H2,15,19)
InChIKeyLYBWSDFEJZTPMZ-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

4-[(4-fluoro-2-nitroanilino)methyl]-1-methylpyrazol-5-amine
CID 79523892
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-fluoro-2-methylbenzamide
CID 79524292
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzamide
CID 79524482
2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide
CID 115303646
2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide
CID 63673130
4-[(4-fluoro-5-methyl-2-nitroanilino)methyl]-1-methylpyrazol-5-amine
CID 103594222
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
CID 114139144
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-bromobenzonitrile
CID 114894110
5-[(2,4-difluoroanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630662
2-(3-aminopropylamino)-5-fluorobenzamide
CID 63674481
4-(2-carbamoyl-4-fluoroanilino)-2,2-dimethylbutanoic acid
CID 114285529
4-[(4-methoxy-2-nitroanilino)methyl]-1-methylpyrazol-5-amine
CID 79524317

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-fluorobenzamide?
The IUPAC name of 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-fluorobenzamide (CID 79523714) is 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-fluorobenzamide.
What is the SMILES notation for 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-fluorobenzamide?
The canonical SMILES for 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-fluorobenzamide is Cn1ncc(CNc2ccc(F)cc2C(N)=O)c1N.
What is the InChIKey of 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-fluorobenzamide?
The InChIKey is LYBWSDFEJZTPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-18-11(14)7(6-17-18)5-16-10-3-2-8(13)4-9(10)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]-5-fluorobenzamide?
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-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]-5-fluorobenzamide is sourced from PubChem (CID 79523714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).