[5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone

C17H22N4O — CID 82188845

IUPAC[5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(-n2nc(C(=O)N3CCC(C)CC3)cc2N)c1
InChIInChI=1S/C17H22N4O/c1-12-6-8-20(9-7-12)17(22)15-11-16(18)21(19-15)14-5-3-4-13(2)10-14/h3-5,10-12H,6-9,18H2,1-2H3
InChIKeyCYYXXFVHYBGAGA-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.64
Rot. Bonds2

About [5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone

[5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 82188845) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID82188845
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(-n2nc(C(=O)N3CCC(C)CC3)cc2N)c1
InChIInChI=1S/C17H22N4O/c1-12-6-8-20(9-7-12)17(22)15-11-16(18)21(19-15)14-5-3-4-13(2)10-14/h3-5,10-12H,6-9,18H2,1-2H3
InChIKeyCYYXXFVHYBGAGA-UHFFFAOYSA-N
XLogP2.64
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205119
[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 110372651
ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate
CID 75357933
[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183288
[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 110372660
[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3957746
[3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3919711
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299311
(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119374753
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
1-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 120512359

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 82188845) is [5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone is Cc1cccc(-n2nc(C(=O)N3CCC(C)CC3)cc2N)c1.
What is the InChIKey of [5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is CYYXXFVHYBGAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-6-8-20(9-7-12)17(22)15-11-16(18)21(19-15)14-5-3-4-13(2)10-14/h3-5,10-12H,6-9,18H2,1-2H3.
What are the key properties of [5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
[5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 82188845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).