1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

C17H25FN4O — CID 126899879

IUPAC1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2cn[nH]c2C2CC2)CC1
InChIInChI=1S/C17H25FN4O/c18-8-12-7-16(23)22(10-12)15-3-5-21(6-4-15)11-14-9-19-20-17(14)13-1-2-13/h9,12-13,15H,1-8,10-11H2,(H,19,20)
InChIKeyIDRDSCHIOAZWEG-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.07
Rot. Bonds5

About 1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899879) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899879
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2cn[nH]c2C2CC2)CC1
InChIInChI=1S/C17H25FN4O/c18-8-12-7-16(23)22(10-12)15-3-5-21(6-4-15)11-14-9-19-20-17(14)13-1-2-13/h9,12-13,15H,1-8,10-11H2,(H,19,20)
InChIKeyIDRDSCHIOAZWEG-UHFFFAOYSA-N
XLogP2.07
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899879) is 1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(Cc2cn[nH]c2C2CC2)CC1.
What is the InChIKey of 1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is IDRDSCHIOAZWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O/c18-8-12-7-16(23)22(10-12)15-3-5-21(6-4-15)11-14-9-19-20-17(14)13-1-2-13/h9,12-13,15H,1-8,10-11H2,(H,19,20).
What are the key properties of 1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 320.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).