[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone

C18H24N4O — CID 119436418

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCCCC1C(C)N
InChIInChI=1S/C18H24N4O/c1-13(19)17-10-6-7-11-21(17)18(23)16-12-22(20-14(16)2)15-8-4-3-5-9-15/h3-5,8-9,12-13,17H,6-7,10-11,19H2,1-2H3
InChIKeyOYOOQINMAKJYAQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.52
Rot. Bonds3

About [2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone

[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 119436418) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
PubChem CID119436418
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCCCC1C(C)N
InChIInChI=1S/C18H24N4O/c1-13(19)17-10-6-7-11-21(17)18(23)16-12-22(20-14(16)2)15-8-4-3-5-9-15/h3-5,8-9,12-13,17H,6-7,10-11,19H2,1-2H3
InChIKeyOYOOQINMAKJYAQ-UHFFFAOYSA-N
XLogP2.52
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119519261
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 99698360
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 55168583
3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579938
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119650742
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride
CID 119435517
[2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671402
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 119436037
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 110023360
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124569387
(3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 138035896

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone (CID 119436418) is [2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone is Cc1nn(-c2ccccc2)cc1C(=O)N1CCCCC1C(C)N.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is OYOOQINMAKJYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(19)17-10-6-7-11-21(17)18(23)16-12-22(20-14(16)2)15-8-4-3-5-9-15/h3-5,8-9,12-13,17H,6-7,10-11,19H2,1-2H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 312.42 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 119436418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).