(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone

C14H17N5O — CID 95824601

IUPAC(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCC(c3cnccn3)CC2)cn1
InChIInChI=1S/C14H17N5O/c1-18-10-12(8-17-18)14(20)19-6-2-11(3-7-19)13-9-15-4-5-16-13/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyYXODSMWJOPTWCU-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.23
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone

(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone (PubChem CID 95824601) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
PubChem CID95824601
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCC(c3cnccn3)CC2)cn1
InChIInChI=1S/C14H17N5O/c1-18-10-12(8-17-18)14(20)19-6-2-11(3-7-19)13-9-15-4-5-16-13/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyYXODSMWJOPTWCU-UHFFFAOYSA-N
XLogP1.23
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 95824131
(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824432
[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95824574
(3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
CID 136561624
(1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 92615374
(1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 95811515
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 113238255
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110132814
(1-methylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 95811532
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900074

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone (CID 95824601) is (1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone is Cn1cc(C(=O)N2CCC(c3cnccn3)CC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone?
The InChIKey is YXODSMWJOPTWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-18-10-12(8-17-18)14(20)19-6-2-11(3-7-19)13-9-15-4-5-16-13/h4-5,8-11H,2-3,6-7H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone?
(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 95824601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).