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

C19H18FN5O — CID 91904913

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccnc1
InChIInChI=1S/C19H18FN5O/c20-15-5-3-13(4-6-15)17-10-18(24-23-17)25-9-7-16(12-25)22-19(26)14-2-1-8-21-11-14/h1-6,8,10-11,16H,7,9,12H2,(H,22,26)(H,23,24)
InChIKeyGXCJCZBNMATSPR-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.62
Rot. Bonds4

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

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 91904913) has the molecular formula C19H18FN5O and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID91904913
Molecular FormulaC19H18FN5O
Molecular Weight351.38 g/mol
Exact Mass351.15
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccnc1
InChIInChI=1S/C19H18FN5O/c20-15-5-3-13(4-6-15)17-10-18(24-23-17)25-9-7-16(12-25)22-19(26)14-2-1-8-21-11-14/h1-6,8,10-11,16H,7,9,12H2,(H,22,26)(H,23,24)
InChIKeyGXCJCZBNMATSPR-UHFFFAOYSA-N
XLogP2.62
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]pyridine-3-carboxamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 91904913) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-3-carboxamide is O=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccnc1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is GXCJCZBNMATSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-15-5-3-13(4-6-15)17-10-18(24-23-17)25-9-7-16(12-25)22-19(26)14-2-1-8-21-11-14/h1-6,8,10-11,16H,7,9,12H2,(H,22,26)(H,23,24).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-3-carboxamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91904913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).