[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C15H21N5O — CID 72873376

IUPAC[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(C)n1ccnc1C1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C15H21N5O/c1-11(2)20-10-7-16-14(20)12-4-8-19(9-5-12)15(21)13-3-6-17-18-13/h3,6-7,10-12H,4-5,8-9H2,1-2H3,(H,17,18)
InChIKeyQWFTXMAZQXZTTH-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.21
Rot. Bonds3

About [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 72873376) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID72873376
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(C)n1ccnc1C1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C15H21N5O/c1-11(2)20-10-7-16-14(20)12-4-8-19(9-5-12)15(21)13-3-6-17-18-13/h3,6-7,10-12H,4-5,8-9H2,1-2H3,(H,17,18)
InChIKeyQWFTXMAZQXZTTH-UHFFFAOYSA-N
XLogP2.21
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 72873376) is [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is CC(C)n1ccnc1C1CCN(C(=O)c2ccn[nH]2)CC1.
What is the InChIKey of [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is QWFTXMAZQXZTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(2)20-10-7-16-14(20)12-4-8-19(9-5-12)15(21)13-3-6-17-18-13/h3,6-7,10-12H,4-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 287.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 72873376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).