(4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone

C16H19N3O — CID 107331635

IUPAC(4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
SMILESCC1(C(=O)c2ccnn2-c2ccccc2)CCNCC1
InChIInChI=1S/C16H19N3O/c1-16(8-11-17-12-9-16)15(20)14-7-10-18-19(14)13-5-3-2-4-6-13/h2-7,10,17H,8-9,11-12H2,1H3
InChIKeyATBSDSMKYWORBY-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.44
Rot. Bonds3

About (4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone

(4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone (PubChem CID 107331635) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
PubChem CID107331635
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
SMILESCC1(C(=O)c2ccnn2-c2ccccc2)CCNCC1
InChIInChI=1S/C16H19N3O/c1-16(8-11-17-12-9-16)15(20)14-7-10-18-19(14)13-5-3-2-4-6-13/h2-7,10,17H,8-9,11-12H2,1H3
InChIKeyATBSDSMKYWORBY-UHFFFAOYSA-N
XLogP2.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone
CID 116567524
(2-methyloxolan-2-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107330188
[1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone
CID 107330172
(1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330230
2-(1,4-diazepan-1-yl)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331630
1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone
CID 107331673
2-phenylpyrazole-3-carbothioamide
CID 83387115
(2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107330211
(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331628
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688
oxan-4-yl-(2-phenylpyrazol-3-yl)methanone
CID 107330154

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of (4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone (CID 107331635) is (4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone is CC1(C(=O)c2ccnn2-c2ccccc2)CCNCC1.
What is the InChIKey of (4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is ATBSDSMKYWORBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(8-11-17-12-9-16)15(20)14-7-10-18-19(14)13-5-3-2-4-6-13/h2-7,10,17H,8-9,11-12H2,1H3.
What are the key properties of (4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone?
(4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 107331635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).