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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Related Compounds

2-(5-methyl-1H-pyrazol-1-yl)-N'-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
CID 135650782
N-(cyclopropylmethyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104288
1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 51104533
(5-ethyl-1H-pyrazol-4-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53571089
(5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62867413
2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 71926885
5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71926929
1-[3-(1-methylpyrazol-4-yl)propyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 72121352
1H-pyrazol-5-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72143551
3-(4-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 72148217
2-(1-methylpyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 72148301
1-{2-[3-(1H-Pyrazol-3-YL)piperidin-1-YL]ethyl}pyrrolidin-2-one
CID 72153927

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).