N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

C19H17FN4O3 — CID 47063329

IUPACN-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)c(F)c1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C19H17FN4O3/c20-14-12-13(6-7-15(14)24-10-3-8-21-24)22-18(25)16-4-1-9-23(16)19(26)17-5-2-11-27-17/h2-3,5-8,10-12,16H,1,4,9H2,(H,22,25)
InChIKeyHKSONKSZKIPLHO-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.85
Rot. Bonds4

About N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 47063329) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID47063329
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)c(F)c1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C19H17FN4O3/c20-14-12-13(6-7-15(14)24-10-3-8-21-24)22-18(25)16-4-1-9-23(16)19(26)17-5-2-11-27-17/h2-3,5-8,10-12,16H,1,4,9H2,(H,22,25)
InChIKeyHKSONKSZKIPLHO-UHFFFAOYSA-N
XLogP2.85
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (CID 47063329) is N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(-n2cccn2)c(F)c1)C1CCCN1C(=O)c1ccco1.
What is the InChIKey of N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is HKSONKSZKIPLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c20-14-12-13(6-7-15(14)24-10-3-8-21-24)22-18(25)16-4-1-9-23(16)19(26)17-5-2-11-27-17/h2-3,5-8,10-12,16H,1,4,9H2,(H,22,25).
What are the key properties of N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47063329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).