[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C19H23FN4O — CID 56738144

IUPAC[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C19H23FN4O/c20-15-4-1-3-14(11-15)16-12-22-23-18(16)13-6-9-24(10-7-13)19(25)17-5-2-8-21-17/h1,3-4,11-13,17,21H,2,5-10H2,(H,22,23)/t17-/m1/s1
InChIKeyIZQQPMZCALSMJC-QGZVFWFLSA-N
MW342.42 g/mol
LogP2.67
Rot. Bonds3

About [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 56738144) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID56738144
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C19H23FN4O/c20-15-4-1-3-14(11-15)16-12-22-23-18(16)13-6-9-24(10-7-13)19(25)17-5-2-8-21-17/h1,3-4,11-13,17,21H,2,5-10H2,(H,22,23)/t17-/m1/s1
InChIKeyIZQQPMZCALSMJC-QGZVFWFLSA-N
XLogP2.67
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 56738144) is [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is O=C([C@H]1CCCN1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1.
What is the InChIKey of [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is IZQQPMZCALSMJC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-15-4-1-3-14(11-15)16-12-22-23-18(16)13-6-9-24(10-7-13)19(25)17-5-2-8-21-17/h1,3-4,11-13,17,21H,2,5-10H2,(H,22,23)/t17-/m1/s1.
What are the key properties of [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 56738144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).