5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide

C7H10FN3O — CID 70193697

IUPAC5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide
SMILESCC(F)c1c(C(N)=O)cnn1C
InChIInChI=1S/C7H10FN3O/c1-4(8)6-5(7(9)12)3-10-11(6)2/h3-4H,1-2H3,(H2,9,12)
InChIKeyCPBOIKXKLJXUAR-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.55
Rot. Bonds2

About 5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide

5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 70193697) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is 5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide
PubChem CID70193697
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC Name5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide
SMILESCC(F)c1c(C(N)=O)cnn1C
InChIInChI=1S/C7H10FN3O/c1-4(8)6-5(7(9)12)3-10-11(6)2/h3-4H,1-2H3,(H2,9,12)
InChIKeyCPBOIKXKLJXUAR-UHFFFAOYSA-N
XLogP0.55
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide (CID 70193697) is 5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide is CC(F)c1c(C(N)=O)cnn1C.
What is the InChIKey of 5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is CPBOIKXKLJXUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-4(8)6-5(7(9)12)3-10-11(6)2/h3-4H,1-2H3,(H2,9,12).
What are the key properties of 5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide?
5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 171.17 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 70193697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).