4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide

C15H19FN4O — CID 66123123

IUPAC4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide
SMILESCCN(C(=O)c1c(N)c(C)nn1CC)c1ccccc1F
InChIInChI=1S/C15H19FN4O/c1-4-19(12-9-7-6-8-11(12)16)15(21)14-13(17)10(3)18-20(14)5-2/h6-9H,4-5,17H2,1-3H3
InChIKeyWLANCKVFOOWSIP-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.60
Rot. Bonds4

About 4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide

4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide (PubChem CID 66123123) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide
PubChem CID66123123
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide
SMILESCCN(C(=O)c1c(N)c(C)nn1CC)c1ccccc1F
InChIInChI=1S/C15H19FN4O/c1-4-19(12-9-7-6-8-11(12)16)15(21)14-13(17)10(3)18-20(14)5-2/h6-9H,4-5,17H2,1-3H3
InChIKeyWLANCKVFOOWSIP-UHFFFAOYSA-N
XLogP2.60
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide (CID 66123123) is 4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide is CCN(C(=O)c1c(N)c(C)nn1CC)c1ccccc1F.
What is the InChIKey of 4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide?
The InChIKey is WLANCKVFOOWSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-4-19(12-9-7-6-8-11(12)16)15(21)14-13(17)10(3)18-20(14)5-2/h6-9H,4-5,17H2,1-3H3.
What are the key properties of 4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide?
4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-diethyl-N-(2-fluorophenyl)-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66123123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).