N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide

C20H19FN4O — CID 91888078

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccccc1
InChIInChI=1S/C20H19FN4O/c21-16-8-6-14(7-9-16)18-12-19(24-23-18)25-11-10-17(13-25)22-20(26)15-4-2-1-3-5-15/h1-9,12,17H,10-11,13H2,(H,22,26)(H,23,24)
InChIKeyQMNPVQBEFQGMPQ-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.22
Rot. Bonds4

About N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide (PubChem CID 91888078) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
PubChem CID91888078
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccccc1
InChIInChI=1S/C20H19FN4O/c21-16-8-6-14(7-9-16)18-12-19(24-23-18)25-11-10-17(13-25)22-20(26)15-4-2-1-3-5-15/h1-9,12,17H,10-11,13H2,(H,22,26)(H,23,24)
InChIKeyQMNPVQBEFQGMPQ-UHFFFAOYSA-N
XLogP3.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide (CID 91888078) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide is O=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccccc1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
The InChIKey is QMNPVQBEFQGMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-16-8-6-14(7-9-16)18-12-19(24-23-18)25-11-10-17(13-25)22-20(26)15-4-2-1-3-5-15/h1-9,12,17H,10-11,13H2,(H,22,26)(H,23,24).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide has a molecular weight of 350.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 91888078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).