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

C20H22FN5O — CID 70780162

IUPAC[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1cccc(F)c1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C20H22FN5O/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/h1-4,8-9,13-15H,5-7,10-12H2,(H,22,24)
InChIKeyHVQUHRVFOQNPKM-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.35
Rot. Bonds5

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

[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 70780162) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID70780162
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1cccc(F)c1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C20H22FN5O/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/h1-4,8-9,13-15H,5-7,10-12H2,(H,22,24)
InChIKeyHVQUHRVFOQNPKM-UHFFFAOYSA-N
XLogP3.35
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 70726778
(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70788820
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 70771223
(4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 119375417
[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 45218235
(5-phenyl-1H-pyrazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97146479
[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95221550
[3-(3-fluorophenyl)pyrazolidin-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 134067503
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 119376653
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone
CID 56866332
2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 154565308
(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 70780162) is [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is O=C(c1cn[nH]c1-c1cccc(F)c1)N1CCC(CCn2cccn2)CC1.
What is the InChIKey of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is HVQUHRVFOQNPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/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/h1-4,8-9,13-15H,5-7,10-12H2,(H,22,24).
What are the key properties of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 367.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70780162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).