N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide

C18H13FN6O — CID 167862874

IUPACN-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1ccccc1F)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C18H13FN6O/c19-15-6-2-1-5-14(15)17-16(10-21-24-17)23-18(26)12-8-22-25(11-12)13-4-3-7-20-9-13/h1-11H,(H,21,24)(H,23,26)
InChIKeyIPDJJQFWUDFKEP-UHFFFAOYSA-N
MW348.34 g/mol
LogP3.05
Rot. Bonds4

About N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide

N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 167862874) has the molecular formula C18H13FN6O and a molecular weight of 348.34 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID167862874
Molecular FormulaC18H13FN6O
Molecular Weight348.34 g/mol
Exact Mass348.11
IUPAC NameN-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1ccccc1F)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C18H13FN6O/c19-15-6-2-1-5-14(15)17-16(10-21-24-17)23-18(26)12-8-22-25(11-12)13-4-3-7-20-9-13/h1-11H,(H,21,24)(H,23,26)
InChIKeyIPDJJQFWUDFKEP-UHFFFAOYSA-N
XLogP3.05
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide (CID 167862874) is N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide is O=C(Nc1cn[nH]c1-c1ccccc1F)c1cnn(-c2cccnc2)c1.
What is the InChIKey of N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is IPDJJQFWUDFKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O/c19-15-6-2-1-5-14(15)17-16(10-21-24-17)23-18(26)12-8-22-25(11-12)13-4-3-7-20-9-13/h1-11H,(H,21,24)(H,23,26).
What are the key properties of N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide?
N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 348.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 167862874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).