(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone

C19H25N3O2 — CID 56810648

IUPAC(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2C)CC1
InChIInChI=1S/C19H25N3O2/c1-14-18(19(23)21-11-9-17(24-3)10-12-21)15(2)22(20-14)13-16-7-5-4-6-8-16/h4-8,17H,9-13H2,1-3H3
InChIKeyLDDCDBRSHKIEHH-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.80
Rot. Bonds4

About (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone

(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 56810648) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID56810648
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2C)CC1
InChIInChI=1S/C19H25N3O2/c1-14-18(19(23)21-11-9-17(24-3)10-12-21)15(2)22(20-14)13-16-7-5-4-6-8-16/h4-8,17H,9-13H2,1-3H3
InChIKeyLDDCDBRSHKIEHH-UHFFFAOYSA-N
XLogP2.80
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 9041474
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 7494641
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone
CID 17458243
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694905
1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 33024736
(3S)-1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124695932
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55885180
(5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 56807408
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86935527
2-(4-methoxypiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428744
[4-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]-phenylmethanone
CID 31363148

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone (CID 56810648) is (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2C)CC1.
What is the InChIKey of (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is LDDCDBRSHKIEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-18(19(23)21-11-9-17(24-3)10-12-21)15(2)22(20-14)13-16-7-5-4-6-8-16/h4-8,17H,9-13H2,1-3H3.
What are the key properties of (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone?
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 56810648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).