[3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

C20H26FN5O — CID 134067503

IUPAC[3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(C1CNNC1c1cccc(F)c1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C20H26FN5O/c21-17-4-1-3-16(13-17)19-18(14-22-24-19)20(27)25-10-5-15(6-11-25)7-12-26-9-2-8-23-26/h1-4,8-9,13,15,18-19,22,24H,5-7,10-12,14H2
InChIKeyAWABGZGHLLPNJO-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.12
Rot. Bonds5

About [3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

[3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 134067503) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is [3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID134067503
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name[3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(C1CNNC1c1cccc(F)c1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C20H26FN5O/c21-17-4-1-3-16(13-17)19-18(14-22-24-19)20(27)25-10-5-15(6-11-25)7-12-26-9-2-8-23-26/h1-4,8-9,13,15,18-19,22,24H,5-7,10-12,14H2
InChIKeyAWABGZGHLLPNJO-UHFFFAOYSA-N
XLogP2.12
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70780162
[3-(4-fluoroanilino)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone
CID 74809267
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95339200
N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 56887203
3-[[(2S,4S)-4-fluoro-1-[3-(3-fluorophenyl)pyrazolidine-4-carbonyl]pyrrolidin-2-yl]methyl]-1,1-dimethylurea
CID 134063974
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602840
(4-benzylpiperazin-1-yl)-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanone
CID 52978390
1-[4-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperazin-1-yl]ethanone
CID 134057149
[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97193044
[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70755983
4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 118792608
(2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide
CID 125172810

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 134067503) is [3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is O=C(C1CNNC1c1cccc(F)c1)N1CCC(CCn2cccn2)CC1.
What is the InChIKey of [3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is AWABGZGHLLPNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c21-17-4-1-3-16(13-17)19-18(14-22-24-19)20(27)25-10-5-15(6-11-25)7-12-26-9-2-8-23-26/h1-4,8-9,13,15,18-19,22,24H,5-7,10-12,14H2.
What are the key properties of [3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
[3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 371.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 134067503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).