(3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone

C17H19FN4O2 — CID 92566784

IUPAC(3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone
SMILESCn1cc(C(=O)C2CCN(C(=O)c3ccccc3F)CC2)c(N)n1
InChIInChI=1S/C17H19FN4O2/c1-21-10-13(16(19)20-21)15(23)11-6-8-22(9-7-11)17(24)12-4-2-3-5-14(12)18/h2-5,10-11H,6-9H2,1H3,(H2,19,20)
InChIKeyYKKDVYQWYRQXLB-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.88
Rot. Bonds3

About (3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone

(3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone (PubChem CID 92566784) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone
PubChem CID92566784
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name(3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone
SMILESCn1cc(C(=O)C2CCN(C(=O)c3ccccc3F)CC2)c(N)n1
InChIInChI=1S/C17H19FN4O2/c1-21-10-13(16(19)20-21)15(23)11-6-8-22(9-7-11)17(24)12-4-2-3-5-14(12)18/h2-5,10-11H,6-9H2,1H3,(H2,19,20)
InChIKeyYKKDVYQWYRQXLB-UHFFFAOYSA-N
XLogP1.88
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-5-(2-oxo-2-phenylethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3244238
N-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-4-fluorobenzamide
CID 16191911
methyl 3-amino-1-(2-fluorobenzoyl)-1H-pyrazole-4-carboxylate
CID 3237934
1-[(5-{[(3-fluorophenyl)carbonyl]amino}-1-phenyl-1H-pyrazol-4-yl)carbonyl]piperidine-4-carboxamide
CID 5201116
Cambridge id 7116450
CID 2927101
N-(2-fluorobenzyl)-3-{1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]piperidin-3-yl}propanamide
CID 16190682
4-fluoro-N-({1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)benzamide
CID 16191644
1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 18152701
N-{1-[1-(2-fluorobenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-methylbutanamide
CID 24793860
4-fluoro-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 32510031
3-fluoro-N-(2-(5-(4-methylbenzyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)benzamide
CID 40908429
2,6-difluoro-N-(2-(5-(4-methylbenzyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)benzamide
CID 40908438

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone (CID 92566784) is (3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone is Cn1cc(C(=O)C2CCN(C(=O)c3ccccc3F)CC2)c(N)n1.
What is the InChIKey of (3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone?
The InChIKey is YKKDVYQWYRQXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-21-10-13(16(19)20-21)15(23)11-6-8-22(9-7-11)17(24)12-4-2-3-5-14(12)18/h2-5,10-11H,6-9H2,1H3,(H2,19,20).
What are the key properties of (3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone?
(3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone has a molecular weight of 330.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-methylpyrazol-4-yl)-[1-(2-fluorobenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 92566784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).