1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone

C14H19N5O — CID 110271122

IUPAC1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1cn[nH]c1C1CCCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C14H19N5O/c1-11-8-15-17-14(11)12-4-2-6-18(9-12)13(20)10-19-7-3-5-16-19/h3,5,7-8,12H,2,4,6,9-10H2,1H3,(H,15,17)
InChIKeyKQZCTOFJJBCHJI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.32
Rot. Bonds3

About 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone

1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 110271122) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID110271122
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1cn[nH]c1C1CCCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C14H19N5O/c1-11-8-15-17-14(11)12-4-2-6-18(9-12)13(20)10-19-7-3-5-16-19/h3,5,7-8,12H,2,4,6,9-10H2,1H3,(H,15,17)
InChIKeyKQZCTOFJJBCHJI-UHFFFAOYSA-N
XLogP1.32
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone (CID 110271122) is 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone is Cc1cn[nH]c1C1CCCN(C(=O)Cn2cccn2)C1.
What is the InChIKey of 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is KQZCTOFJJBCHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-8-15-17-14(11)12-4-2-6-18(9-12)13(20)10-19-7-3-5-16-19/h3,5,7-8,12H,2,4,6,9-10H2,1H3,(H,15,17).
What are the key properties of 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 273.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 110271122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).