1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide

C20H23FN6O — CID 91887870

IUPAC1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)n1
InChIInChI=1S/C20H23FN6O/c1-2-27-11-9-17(25-27)20(28)22-16-4-3-10-26(13-16)19-12-18(23-24-19)14-5-7-15(21)8-6-14/h5-9,11-12,16H,2-4,10,13H2,1H3,(H,22,28)(H,23,24)
InChIKeyRYWDHHXIJZPICN-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.83
Rot. Bonds5

About 1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide

1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 91887870) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID91887870
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)n1
InChIInChI=1S/C20H23FN6O/c1-2-27-11-9-17(25-27)20(28)22-16-4-3-10-26(13-16)19-12-18(23-24-19)14-5-7-15(21)8-6-14/h5-9,11-12,16H,2-4,10,13H2,1H3,(H,22,28)(H,23,24)
InChIKeyRYWDHHXIJZPICN-UHFFFAOYSA-N
XLogP2.83
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide (CID 91887870) is 1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide is CCn1ccc(C(=O)NC2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)n1.
What is the InChIKey of 1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is RYWDHHXIJZPICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-2-27-11-9-17(25-27)20(28)22-16-4-3-10-26(13-16)19-12-18(23-24-19)14-5-7-15(21)8-6-14/h5-9,11-12,16H,2-4,10,13H2,1H3,(H,22,28)(H,23,24).
What are the key properties of 1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide?
1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 91887870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).