3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one

C17H25N5O — CID 110104081

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnc(C2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)[nH]1
InChIInChI=1S/C17H25N5O/c1-11-9-18-17(19-11)14-5-4-8-22(10-14)16(23)7-6-15-12(2)20-21-13(15)3/h9,14H,4-8,10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeySNZBZXXRGRKFKQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.40
Rot. Bonds4

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 110104081) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID110104081
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnc(C2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)[nH]1
InChIInChI=1S/C17H25N5O/c1-11-9-18-17(19-11)14-5-4-8-22(10-14)16(23)7-6-15-12(2)20-21-13(15)3/h9,14H,4-8,10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeySNZBZXXRGRKFKQ-UHFFFAOYSA-N
XLogP2.40
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one (CID 110104081) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one is Cc1cnc(C2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)[nH]1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is SNZBZXXRGRKFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11-9-18-17(19-11)14-5-4-8-22(10-14)16(23)7-6-15-12(2)20-21-13(15)3/h9,14H,4-8,10H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 315.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110104081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).