3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide

C11H19FN4O — CID 146680632

IUPAC3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1cn(CCF)nc1N
InChIInChI=1S/C11H19FN4O/c1-3-4-6-15(2)11(17)9-8-16(7-5-12)14-10(9)13/h8H,3-7H2,1-2H3,(H2,13,14)
InChIKeyKTISPBKIWZJAHR-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.31
Rot. Bonds6

About 3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide

3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide (PubChem CID 146680632) has the molecular formula C11H19FN4O and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide
PubChem CID146680632
Molecular FormulaC11H19FN4O
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC Name3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1cn(CCF)nc1N
InChIInChI=1S/C11H19FN4O/c1-3-4-6-15(2)11(17)9-8-16(7-5-12)14-10(9)13/h8H,3-7H2,1-2H3,(H2,13,14)
InChIKeyKTISPBKIWZJAHR-UHFFFAOYSA-N
XLogP1.31
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide (CID 146680632) is 3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide is CCCCN(C)C(=O)c1cn(CCF)nc1N.
What is the InChIKey of 3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide?
The InChIKey is KTISPBKIWZJAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4O/c1-3-4-6-15(2)11(17)9-8-16(7-5-12)14-10(9)13/h8H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide?
3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide has a molecular weight of 242.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 146680632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).