(1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C23H29N5O — CID 56724035

IUPAC(1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC(C)c1nccn1CC1CCN(C(=O)c2cc(-c3ccccc3)nn2C)CC1
InChIInChI=1S/C23H29N5O/c1-17(2)22-24-11-14-28(22)16-18-9-12-27(13-10-18)23(29)21-15-20(25-26(21)3)19-7-5-4-6-8-19/h4-8,11,14-15,17-18H,9-10,12-13,16H2,1-3H3
InChIKeyIHORCJYJFULHLM-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.96
Rot. Bonds5

About (1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone

(1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 56724035) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is (1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID56724035
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name(1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC(C)c1nccn1CC1CCN(C(=O)c2cc(-c3ccccc3)nn2C)CC1
InChIInChI=1S/C23H29N5O/c1-17(2)22-24-11-14-28(22)16-18-9-12-27(13-10-18)23(29)21-15-20(25-26(21)3)19-7-5-4-6-8-19/h4-8,11,14-15,17-18H,9-10,12-13,16H2,1-3H3
InChIKeyIHORCJYJFULHLM-UHFFFAOYSA-N
XLogP3.96
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 56724035) is (1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone is CC(C)c1nccn1CC1CCN(C(=O)c2cc(-c3ccccc3)nn2C)CC1.
What is the InChIKey of (1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is IHORCJYJFULHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-17(2)22-24-11-14-28(22)16-18-9-12-27(13-10-18)23(29)21-15-20(25-26(21)3)19-7-5-4-6-8-19/h4-8,11,14-15,17-18H,9-10,12-13,16H2,1-3H3.
What are the key properties of (1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
(1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 391.52 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-phenylpyrazol-5-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56724035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).