(5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

C18H25FN4O — CID 75199563

IUPAC(5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC(C2CC2)NN1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C18H25FN4O/c19-15-4-2-1-3-14(15)12-22-7-9-23(10-8-22)18(24)17-11-16(20-21-17)13-5-6-13/h1-4,13,16-17,20-21H,5-12H2
InChIKeyMDEQLEHABCTTLZ-UHFFFAOYSA-N
MW332.42 g/mol
LogP1.12
Rot. Bonds4

About (5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

(5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 75199563) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is (5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID75199563
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name(5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CC(C2CC2)NN1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C18H25FN4O/c19-15-4-2-1-3-14(15)12-22-7-9-23(10-8-22)18(24)17-11-16(20-21-17)13-5-6-13/h1-4,13,16-17,20-21H,5-12H2
InChIKeyMDEQLEHABCTTLZ-UHFFFAOYSA-N
XLogP1.12
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 75199563) is (5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is O=C(C1CC(C2CC2)NN1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of (5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is MDEQLEHABCTTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c19-15-4-2-1-3-14(15)12-22-7-9-23(10-8-22)18(24)17-11-16(20-21-17)13-5-6-13/h1-4,13,16-17,20-21H,5-12H2.
What are the key properties of (5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
(5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 332.42 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropylpyrazolidin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 75199563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).