N-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide

C11H11FN4O — CID 58270538

IUPACN-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCCF)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C11H11FN4O/c12-3-5-14-11(17)9-6-15-16(8-9)10-2-1-4-13-7-10/h1-2,4,6-8H,3,5H2,(H,14,17)
InChIKeyCWPNSCCIZQSLTR-UHFFFAOYSA-N
MW234.23 g/mol
LogP0.97
Rot. Bonds4

About N-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide

N-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 58270538) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID58270538
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC NameN-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCCF)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C11H11FN4O/c12-3-5-14-11(17)9-6-15-16(8-9)10-2-1-4-13-7-10/h1-2,4,6-8H,3,5H2,(H,14,17)
InChIKeyCWPNSCCIZQSLTR-UHFFFAOYSA-N
XLogP0.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide (CID 58270538) is N-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide is O=C(NCCF)c1cnn(-c2cccnc2)c1.
What is the InChIKey of N-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is CWPNSCCIZQSLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c12-3-5-14-11(17)9-6-15-16(8-9)10-2-1-4-13-7-10/h1-2,4,6-8H,3,5H2,(H,14,17).
What are the key properties of N-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
N-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 58270538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).