1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one

C19H23FN4O3 — CID 92610978

IUPAC1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC[C@@H](C(=O)c2cnn(-c3ccc(F)cc3)c2N)C1
InChIInChI=1S/C19H23FN4O3/c1-27-10-8-17(25)23-9-2-3-13(12-23)18(26)16-11-22-24(19(16)21)15-6-4-14(20)5-7-15/h4-7,11,13H,2-3,8-10,12,21H2,1H3/t13-/m1/s1
InChIKeyFKVRWAPIWOCNEA-CYBMUJFWSA-N
MW374.42 g/mol
LogP2.05
Rot. Bonds6

About 1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one

1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 92610978) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one
PubChem CID92610978
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC[C@@H](C(=O)c2cnn(-c3ccc(F)cc3)c2N)C1
InChIInChI=1S/C19H23FN4O3/c1-27-10-8-17(25)23-9-2-3-13(12-23)18(26)16-11-22-24(19(16)21)15-6-4-14(20)5-7-15/h4-7,11,13H,2-3,8-10,12,21H2,1H3/t13-/m1/s1
InChIKeyFKVRWAPIWOCNEA-CYBMUJFWSA-N
XLogP2.05
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 92610733
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
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 92595156
[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
1-[(3S)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-(1,2-oxazol-5-yl)propan-1-one
CID 92597106
1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one
CID 92597097
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 92570408
1-[(3S)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92558455
1-[(3S)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92603392
1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 92575852
1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 92605607

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one (CID 92610978) is 1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCC[C@@H](C(=O)c2cnn(-c3ccc(F)cc3)c2N)C1.
What is the InChIKey of 1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is FKVRWAPIWOCNEA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-27-10-8-17(25)23-9-2-3-13(12-23)18(26)16-11-22-24(19(16)21)15-6-4-14(20)5-7-15/h4-7,11,13H,2-3,8-10,12,21H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one?
1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 374.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 92610978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).