3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one

C16H23N5O — CID 75464242

IUPAC3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnn(CCC(=O)N2CCCC(c3cc(C)[nH]n3)C2)c1
InChIInChI=1S/C16H23N5O/c1-12-9-17-21(10-12)7-5-16(22)20-6-3-4-14(11-20)15-8-13(2)18-19-15/h8-10,14H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyWQMMJWRIDNQFLJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.02
Rot. Bonds4

About 3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one

3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 75464242) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID75464242
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnn(CCC(=O)N2CCCC(c3cc(C)[nH]n3)C2)c1
InChIInChI=1S/C16H23N5O/c1-12-9-17-21(10-12)7-5-16(22)20-6-3-4-14(11-20)15-8-13(2)18-19-15/h8-10,14H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyWQMMJWRIDNQFLJ-UHFFFAOYSA-N
XLogP2.02
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one (CID 75464242) is 3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one is Cc1cnn(CCC(=O)N2CCCC(c3cc(C)[nH]n3)C2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is WQMMJWRIDNQFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-9-17-21(10-12)7-5-16(22)20-6-3-4-14(11-20)15-8-13(2)18-19-15/h8-10,14H,3-7,11H2,1-2H3,(H,18,19).
What are the key properties of 3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one?
3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 301.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 75464242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).