4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide

C8H13FN4O — CID 132586737

IUPAC4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide
SMILESCCNC(=O)c1c(N)cnn1CCF
InChIInChI=1S/C8H13FN4O/c1-2-11-8(14)7-6(10)5-12-13(7)4-3-9/h5H,2-4,10H2,1H3,(H,11,14)
InChIKeyBACGHEQGIJXLRU-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.18
Rot. Bonds4

About 4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide

4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide (PubChem CID 132586737) has the molecular formula C8H13FN4O and a molecular weight of 200.22 g/mol. Its IUPAC name is 4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide
PubChem CID132586737
Molecular FormulaC8H13FN4O
Molecular Weight200.22 g/mol
Exact Mass200.11
IUPAC Name4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide
SMILESCCNC(=O)c1c(N)cnn1CCF
InChIInChI=1S/C8H13FN4O/c1-2-11-8(14)7-6(10)5-12-13(7)4-3-9/h5H,2-4,10H2,1H3,(H,11,14)
InChIKeyBACGHEQGIJXLRU-UHFFFAOYSA-N
XLogP0.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide (CID 132586737) is 4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide is CCNC(=O)c1c(N)cnn1CCF.
What is the InChIKey of 4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide?
The InChIKey is BACGHEQGIJXLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O/c1-2-11-8(14)7-6(10)5-12-13(7)4-3-9/h5H,2-4,10H2,1H3,(H,11,14).
What are the key properties of 4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide?
4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide has a molecular weight of 200.22 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-1-(2-fluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 132586737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).