(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C13H16N6O — CID 4770499

IUPAC(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCn1ccc(C(=O)N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C13H16N6O/c1-17-6-3-11(16-17)12(20)18-7-9-19(10-8-18)13-14-4-2-5-15-13/h2-6H,7-10H2,1H3
InChIKeyLDKIUULYCXQBKE-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.17
Rot. Bonds2

About (1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 4770499) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID4770499
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCn1ccc(C(=O)N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C13H16N6O/c1-17-6-3-11(16-17)12(20)18-7-9-19(10-8-18)13-14-4-2-5-15-13/h2-6H,7-10H2,1H3
InChIKeyLDKIUULYCXQBKE-UHFFFAOYSA-N
XLogP0.17
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
[4-(5-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 172900503
(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97409309
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 121066958
(1-methylpyrazol-3-yl)-(4-quinolin-4-yl-1,4-diazepan-1-yl)methanone
CID 172903448
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
N,N-diethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109098942
(4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109095456
[5-(azepan-1-yl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194519

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 4770499) is (1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cn1ccc(C(=O)N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is LDKIUULYCXQBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-17-6-3-11(16-17)12(20)18-7-9-19(10-8-18)13-14-4-2-5-15-13/h2-6H,7-10H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 4770499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).