[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone

C16H19FN4O — CID 124573470

IUPAC[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
SMILESNC[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C16H19FN4O/c17-12-4-3-6-13(10-12)21-9-7-15(19-21)16(22)20-8-2-1-5-14(20)11-18/h3-4,6-7,9-10,14H,1-2,5,8,11,18H2/t14-/m0/s1
InChIKeyQWQGVXLEOGPRNV-AWEZNQCLSA-N
MW302.35 g/mol
LogP1.96
Rot. Bonds3

About [(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone

[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone (PubChem CID 124573470) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
PubChem CID124573470
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
SMILESNC[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C16H19FN4O/c17-12-4-3-6-13(10-12)21-9-7-15(19-21)16(22)20-8-2-1-5-14(20)11-18/h3-4,6-7,9-10,14H,1-2,5,8,11,18H2/t14-/m0/s1
InChIKeyQWQGVXLEOGPRNV-AWEZNQCLSA-N
XLogP1.96
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone
CID 119467359
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124687400
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124569387
[2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119634575
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(3-bromophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119634681
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95346124
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428155
3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide
CID 120580221
3-[(2R)-1-(1-phenylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124701420
[1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 75395512
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47076704
N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide
CID 47924929

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone (CID 124573470) is [(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The canonical SMILES for [(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone is NC[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of [(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The InChIKey is QWQGVXLEOGPRNV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-12-4-3-6-13(10-12)21-9-7-15(19-21)16(22)20-8-2-1-5-14(20)11-18/h3-4,6-7,9-10,14H,1-2,5,8,11,18H2/t14-/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone has a molecular weight of 302.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 124573470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).