2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide

C13H16FN5O — CID 107464501

IUPAC2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide
SMILESCCc1nn(C)cc1Nc1cc(C(N)=O)c(N)cc1F
InChIInChI=1S/C13H16FN5O/c1-3-10-12(6-19(2)18-10)17-11-4-7(13(16)20)9(15)5-8(11)14/h4-6,17H,3,15H2,1-2H3,(H2,16,20)
InChIKeyLYMWOJACBXZCOQ-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.55
Rot. Bonds4

About 2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide

2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide (PubChem CID 107464501) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide
PubChem CID107464501
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide
SMILESCCc1nn(C)cc1Nc1cc(C(N)=O)c(N)cc1F
InChIInChI=1S/C13H16FN5O/c1-3-10-12(6-19(2)18-10)17-11-4-7(13(16)20)9(15)5-8(11)14/h4-6,17H,3,15H2,1-2H3,(H2,16,20)
InChIKeyLYMWOJACBXZCOQ-UHFFFAOYSA-N
XLogP1.55
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzoic acid
CID 107464514
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2,3-difluorobenzoic acid
CID 107463581
methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoate
CID 107464499
ethyl 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoate
CID 107464500
2-amino-4-fluoro-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 79231107
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
CID 107463012
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267
(3-ethyl-1-methylpyrazol-4-yl)thiourea
CID 107462555
4-amino-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 107462094
5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid
CID 107464497
2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide
CID 82729877
methyl 3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoate
CID 107464519

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide?
The IUPAC name of 2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide (CID 107464501) is 2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide.
What is the SMILES notation for 2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide?
The canonical SMILES for 2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide is CCc1nn(C)cc1Nc1cc(C(N)=O)c(N)cc1F.
What is the InChIKey of 2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide?
The InChIKey is LYMWOJACBXZCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-3-10-12(6-19(2)18-10)17-11-4-7(13(16)20)9(15)5-8(11)14/h4-6,17H,3,15H2,1-2H3,(H2,16,20).
What are the key properties of 2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide?
2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide has a molecular weight of 277.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzamide is sourced from PubChem (CID 107464501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).