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

C20H22FN5O — CID 95221550

IUPAC[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESCCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2cccc(F)c2)C1
InChIInChI=1S/C20H22FN5O/c1-2-13-10-22-24-18(13)15-6-4-8-26(12-15)20(27)17-11-23-25-19(17)14-5-3-7-16(21)9-14/h3,5,7,9-11,15H,2,4,6,8,12H2,1H3,(H,22,24)(H,23,25)/t15-/m1/s1
InChIKeyWZOXKCFIRXAQRZ-OAHLLOKOSA-N
MW367.43 g/mol
LogP3.52
Rot. Bonds4

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

[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 95221550) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is [(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
PubChem CID95221550
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESCCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2cccc(F)c2)C1
InChIInChI=1S/C20H22FN5O/c1-2-13-10-22-24-18(13)15-6-4-8-26(12-15)20(27)17-11-23-25-19(17)14-5-3-7-16(21)9-14/h3,5,7,9-11,15H,2,4,6,8,12H2,1H3,(H,22,24)(H,23,25)/t15-/m1/s1
InChIKeyWZOXKCFIRXAQRZ-OAHLLOKOSA-N
XLogP3.52
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone (CID 95221550) is [(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone is CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2cccc(F)c2)C1.
What is the InChIKey of [(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is WZOXKCFIRXAQRZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-2-13-10-22-24-18(13)15-6-4-8-26(12-15)20(27)17-11-23-25-19(17)14-5-3-7-16(21)9-14/h3,5,7,9-11,15H,2,4,6,8,12H2,1H3,(H,22,24)(H,23,25)/t15-/m1/s1.
What are the key properties of [(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone?
[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 367.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 95221550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).