N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide

C14H14FN3O — CID 5330942

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)C(F)c1ccccc1
InChIInChI=1S/C14H14FN3O/c15-13(10-4-2-1-3-5-10)14(19)16-12-8-11(17-18-12)9-6-7-9/h1-5,8-9,13H,6-7H2,(H2,16,17,18,19)
InChIKeyQFPGZNFSVUUBNZ-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.94
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide (PubChem CID 5330942) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
PubChem CID5330942
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)C(F)c1ccccc1
InChIInChI=1S/C14H14FN3O/c15-13(10-4-2-1-3-5-10)14(19)16-12-8-11(17-18-12)9-6-7-9/h1-5,8-9,13H,6-7H2,(H2,16,17,18,19)
InChIKeyQFPGZNFSVUUBNZ-UHFFFAOYSA-N
XLogP2.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide (CID 5330942) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide is O=C(Nc1cc(C2CC2)[nH]n1)C(F)c1ccccc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide?
The InChIKey is QFPGZNFSVUUBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-13(10-4-2-1-3-5-10)14(19)16-12-8-11(17-18-12)9-6-7-9/h1-5,8-9,13H,6-7H2,(H2,16,17,18,19).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide has a molecular weight of 259.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide is sourced from PubChem (CID 5330942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).