[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone

C21H23FN6O2 — CID 92595156

IUPAC[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@H](C(=O)c3cnn(-c4ccc(F)cc4)c3N)C2)cnn1C
InChIInChI=1S/C21H23FN6O2/c1-13-17(10-24-26(13)2)21(30)27-9-3-4-14(12-27)19(29)18-11-25-28(20(18)23)16-7-5-15(22)6-8-16/h5-8,10-11,14H,3-4,9,12,23H2,1-2H3/t14-/m0/s1
InChIKeyBLKVIPFCBXEBNE-AWEZNQCLSA-N
MW410.45 g/mol
LogP2.37
Rot. Bonds4

About [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone

[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone (PubChem CID 92595156) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone
PubChem CID92595156
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@H](C(=O)c3cnn(-c4ccc(F)cc4)c3N)C2)cnn1C
InChIInChI=1S/C21H23FN6O2/c1-13-17(10-24-26(13)2)21(30)27-9-3-4-14(12-27)19(29)18-11-25-28(20(18)23)16-7-5-15(22)6-8-16/h5-8,10-11,14H,3-4,9,12,23H2,1-2H3/t14-/m0/s1
InChIKeyBLKVIPFCBXEBNE-AWEZNQCLSA-N
XLogP2.37
TPSA99.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(1-benzoylpiperidin-3-yl)methanone
CID 110239672
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-benzoylpiperidin-3-yl]methanone
CID 92573997
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 92570408
1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 92610733
1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one
CID 92610978
5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 92566902
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119032264
(5-amino-1-phenylpyrazol-4-yl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methanone
CID 110239660
(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 99638797
1-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110239695
(3S)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173520
[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-[(2R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 92595192

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone (CID 92595156) is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone is Cc1c(C(=O)N2CCC[C@H](C(=O)c3cnn(-c4ccc(F)cc4)c3N)C2)cnn1C.
What is the InChIKey of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone?
The InChIKey is BLKVIPFCBXEBNE-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-13-17(10-24-26(13)2)21(30)27-9-3-4-14(12-27)19(29)18-11-25-28(20(18)23)16-7-5-15(22)6-8-16/h5-8,10-11,14H,3-4,9,12,23H2,1-2H3/t14-/m0/s1.
What are the key properties of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone?
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone has a molecular weight of 410.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 92595156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).