4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide

C9H15FN4O — CID 132586738

IUPAC4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1c(N)cnn1CCF
InChIInChI=1S/C9H15FN4O/c1-6(2)13-9(15)8-7(11)5-12-14(8)4-3-10/h5-6H,3-4,11H2,1-2H3,(H,13,15)
InChIKeyJFASJXPGNGHTHB-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.57
Rot. Bonds4

About 4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide

4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide (PubChem CID 132586738) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is 4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide
PubChem CID132586738
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1c(N)cnn1CCF
InChIInChI=1S/C9H15FN4O/c1-6(2)13-9(15)8-7(11)5-12-14(8)4-3-10/h5-6H,3-4,11H2,1-2H3,(H,13,15)
InChIKeyJFASJXPGNGHTHB-UHFFFAOYSA-N
XLogP0.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide (CID 132586738) is 4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide is CC(C)NC(=O)c1c(N)cnn1CCF.
What is the InChIKey of 4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is JFASJXPGNGHTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-6(2)13-9(15)8-7(11)5-12-14(8)4-3-10/h5-6H,3-4,11H2,1-2H3,(H,13,15).
What are the key properties of 4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide?
4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 214.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-fluoroethyl)-N-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 132586738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).