[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone

C11H14N6O — CID 78917987

IUPAC[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C11H14N6O/c18-11(10-6-13-16-15-10)17-5-1-2-8(7-17)9-3-4-12-14-9/h3-4,6,8H,1-2,5,7H2,(H,12,14)(H,13,15,16)
InChIKeyQYGQSSSMPDRHNY-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.55
Rot. Bonds2

About [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone

[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 78917987) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID78917987
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C11H14N6O/c18-11(10-6-13-16-15-10)17-5-1-2-8(7-17)9-3-4-12-14-9/h3-4,6,8H,1-2,5,7H2,(H,12,14)(H,13,15,16)
InChIKeyQYGQSSSMPDRHNY-UHFFFAOYSA-N
XLogP0.55
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95775037
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
pyrazin-2-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841608
(4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 54878215
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023
(1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841745
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
[6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 131952098
(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 70769853
[6-(cyclopropylmethoxy)-3-pyridinyl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95781185

Frequently Asked Questions

What is the IUPAC name of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone (CID 78917987) is [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone is O=C(c1cn[nH]n1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is QYGQSSSMPDRHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c18-11(10-6-13-16-15-10)17-5-1-2-8(7-17)9-3-4-12-14-9/h3-4,6,8H,1-2,5,7H2,(H,12,14)(H,13,15,16).
What are the key properties of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone?
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 246.27 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 78917987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).