N-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide

C23H21FN6O3 — CID 91628896

IUPACN-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)[nH]n1
InChIInChI=1S/C23H21FN6O3/c24-15-4-1-2-5-16(15)25-22(31)19-12-17(26-28-19)14-7-9-30(10-8-14)23(32)20-13-18(27-29-20)21-6-3-11-33-21/h1-6,11-14H,7-10H2,(H,25,31)(H,26,28)(H,27,29)
InChIKeyJCXAFWJMYIOFIA-UHFFFAOYSA-N
MW448.46 g/mol
LogP3.80
Rot. Bonds5

About N-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide

N-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 91628896) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID91628896
Molecular FormulaC23H21FN6O3
Molecular Weight448.46 g/mol
Exact Mass448.17
IUPAC NameN-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)[nH]n1
InChIInChI=1S/C23H21FN6O3/c24-15-4-1-2-5-16(15)25-22(31)19-12-17(26-28-19)14-7-9-30(10-8-14)23(32)20-13-18(27-29-20)21-6-3-11-33-21/h1-6,11-14H,7-10H2,(H,25,31)(H,26,28)(H,27,29)
InChIKeyJCXAFWJMYIOFIA-UHFFFAOYSA-N
XLogP3.80
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide (CID 91628896) is N-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide is O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)[nH]n1.
What is the InChIKey of N-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is JCXAFWJMYIOFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3/c24-15-4-1-2-5-16(15)25-22(31)19-12-17(26-28-19)14-7-9-30(10-8-14)23(32)20-13-18(27-29-20)21-6-3-11-33-21/h1-6,11-14H,7-10H2,(H,25,31)(H,26,28)(H,27,29).
What are the key properties of N-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
N-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 448.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91628896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).