[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone

C21H24FN5O — CID 56752976

IUPAC[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCCC(c2[nH]ncc2-c2ccc(F)cc2)C1
InChIInChI=1S/C21H24FN5O/c1-2-4-19-18(12-23-25-19)21(28)27-10-3-5-15(13-27)20-17(11-24-26-20)14-6-8-16(22)9-7-14/h6-9,11-12,15H,2-5,10,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyOEXYEADENNZCIR-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.91
Rot. Bonds5

About [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone

[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone (PubChem CID 56752976) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
PubChem CID56752976
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCCC(c2[nH]ncc2-c2ccc(F)cc2)C1
InChIInChI=1S/C21H24FN5O/c1-2-4-19-18(12-23-25-19)21(28)27-10-3-5-15(13-27)20-17(11-24-26-20)14-6-8-16(22)9-7-14/h6-9,11-12,15H,2-5,10,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyOEXYEADENNZCIR-UHFFFAOYSA-N
XLogP3.91
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone (CID 56752976) is [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone is CCCc1[nH]ncc1C(=O)N1CCCC(c2[nH]ncc2-c2ccc(F)cc2)C1.
What is the InChIKey of [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The InChIKey is OEXYEADENNZCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-2-4-19-18(12-23-25-19)21(28)27-10-3-5-15(13-27)20-17(11-24-26-20)14-6-8-16(22)9-7-14/h6-9,11-12,15H,2-5,10,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone has a molecular weight of 381.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 56752976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).