N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide

C14H17FN4O — CID 81315071

IUPACN-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2c(N)cccc2F)n(CC)n1
InChIInChI=1S/C14H17FN4O/c1-3-9-8-12(19(4-2)18-9)14(20)17-13-10(15)6-5-7-11(13)16/h5-8H,3-4,16H2,1-2H3,(H,17,20)
InChIKeyHXUZHDLPSYHJNB-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.44
Rot. Bonds4

About N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide

N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide (PubChem CID 81315071) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide
PubChem CID81315071
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2c(N)cccc2F)n(CC)n1
InChIInChI=1S/C14H17FN4O/c1-3-9-8-12(19(4-2)18-9)14(20)17-13-10(15)6-5-7-11(13)16/h5-8H,3-4,16H2,1-2H3,(H,17,20)
InChIKeyHXUZHDLPSYHJNB-UHFFFAOYSA-N
XLogP2.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide
CID 66122727
N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66120978
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66121775
2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121377
N-(2-amino-6-fluorophenyl)-4-ethylbenzamide
CID 81313700
N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
1,3-diethyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 66120821
N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide
CID 66122725
N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121397

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide (CID 81315071) is N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2c(N)cccc2F)n(CC)n1.
What is the InChIKey of N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is HXUZHDLPSYHJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-3-9-8-12(19(4-2)18-9)14(20)17-13-10(15)6-5-7-11(13)16/h5-8H,3-4,16H2,1-2H3,(H,17,20).
What are the key properties of N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide?
N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 81315071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).