1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C21H22FN5O — CID 20924214

IUPAC1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cnn(-c2cccc(F)c2)c1C1CCNCC1
InChIInChI=1S/C21H22FN5O/c22-17-4-1-5-18(11-17)27-20(16-6-9-23-10-7-16)19(14-26-27)21(28)25-13-15-3-2-8-24-12-15/h1-5,8,11-12,14,16,23H,6-7,9-10,13H2,(H,25,28)
InChIKeyDQCYAQFZOZYKQZ-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.80
Rot. Bonds5

About 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 20924214) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID20924214
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cnn(-c2cccc(F)c2)c1C1CCNCC1
InChIInChI=1S/C21H22FN5O/c22-17-4-1-5-18(11-17)27-20(16-6-9-23-10-7-16)19(14-26-27)21(28)25-13-15-3-2-8-24-12-15/h1-5,8,11-12,14,16,23H,6-7,9-10,13H2,(H,25,28)
InChIKeyDQCYAQFZOZYKQZ-UHFFFAOYSA-N
XLogP2.80
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 20924214) is 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is O=C(NCc1cccnc1)c1cnn(-c2cccc(F)c2)c1C1CCNCC1.
What is the InChIKey of 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is DQCYAQFZOZYKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-17-4-1-5-18(11-17)27-20(16-6-9-23-10-7-16)19(14-26-27)21(28)25-13-15-3-2-8-24-12-15/h1-5,8,11-12,14,16,23H,6-7,9-10,13H2,(H,25,28).
What are the key properties of 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 20924214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).