N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide

C17H24FN5O — CID 51105210

IUPACN-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide
SMILESCc1nn(C)c(N(C)C)c1CNCCNC(=O)c1ccccc1F
InChIInChI=1S/C17H24FN5O/c1-12-14(17(22(2)3)23(4)21-12)11-19-9-10-20-16(24)13-7-5-6-8-15(13)18/h5-8,19H,9-11H2,1-4H3,(H,20,24)
InChIKeyIXXNTNFVOZCVTP-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.45
Rot. Bonds7

About N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide

N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide (PubChem CID 51105210) has the molecular formula C17H24FN5O and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide
PubChem CID51105210
Molecular FormulaC17H24FN5O
Molecular Weight333.41 g/mol
Exact Mass333.20
IUPAC NameN-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide
SMILESCc1nn(C)c(N(C)C)c1CNCCNC(=O)c1ccccc1F
InChIInChI=1S/C17H24FN5O/c1-12-14(17(22(2)3)23(4)21-12)11-19-9-10-20-16(24)13-7-5-6-8-15(13)18/h5-8,19H,9-11H2,1-4H3,(H,20,24)
InChIKeyIXXNTNFVOZCVTP-UHFFFAOYSA-N
XLogP1.45
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716746
3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79231656
2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 3156882
2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121043
2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768025
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
(2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol
CID 95139543
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 95141533
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445
2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide
CID 154196668

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide (CID 51105210) is N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide is Cc1nn(C)c(N(C)C)c1CNCCNC(=O)c1ccccc1F.
What is the InChIKey of N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide?
The InChIKey is IXXNTNFVOZCVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O/c1-12-14(17(22(2)3)23(4)21-12)11-19-9-10-20-16(24)13-7-5-6-8-15(13)18/h5-8,19H,9-11H2,1-4H3,(H,20,24).
What are the key properties of N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide?
N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide has a molecular weight of 333.41 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 51105210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).