4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide

C8H11FN4O — CID 175211222

IUPAC4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(F)CN1c1ccn[nH]1
InChIInChI=1S/C8H11FN4O/c9-5-3-6(8(10)14)13(4-5)7-1-2-11-12-7/h1-2,5-6H,3-4H2,(H2,10,14)(H,11,12)
InChIKeyJZAUAVMVPQFKGO-UHFFFAOYSA-N
MW198.20 g/mol
LogP-0.19
Rot. Bonds2

About 4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide

4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 175211222) has the molecular formula C8H11FN4O and a molecular weight of 198.20 g/mol. Its IUPAC name is 4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID175211222
Molecular FormulaC8H11FN4O
Molecular Weight198.20 g/mol
Exact Mass198.09
IUPAC Name4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(F)CN1c1ccn[nH]1
InChIInChI=1S/C8H11FN4O/c9-5-3-6(8(10)14)13(4-5)7-1-2-11-12-7/h1-2,5-6H,3-4H2,(H2,10,14)(H,11,12)
InChIKeyJZAUAVMVPQFKGO-UHFFFAOYSA-N
XLogP-0.19
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide (CID 175211222) is 4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide is NC(=O)C1CC(F)CN1c1ccn[nH]1.
What is the InChIKey of 4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is JZAUAVMVPQFKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O/c9-5-3-6(8(10)14)13(4-5)7-1-2-11-12-7/h1-2,5-6H,3-4H2,(H2,10,14)(H,11,12).
What are the key properties of 4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide?
4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 198.20 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 175211222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).