(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone

C16H20N6O2 — CID 56796323

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1
InChIInChI=1S/C16H20N6O2/c1-24-14-4-5-17-16(18-14)22-8-6-21(7-9-22)15(23)13-10-12(19-20-13)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,20)
InChIKeyRSDWBUUUFMCWBW-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.05
Rot. Bonds4

About (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 56796323) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID56796323
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1
InChIInChI=1S/C16H20N6O2/c1-24-14-4-5-17-16(18-14)22-8-6-21(7-9-22)15(23)13-10-12(19-20-13)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,20)
InChIKeyRSDWBUUUFMCWBW-UHFFFAOYSA-N
XLogP1.05
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(5-Cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 49025680
[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone
CID 53514432
(5-ethyl-1H-pyrazol-4-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 53523191
(5-ethyl-1H-pyrazol-4-yl)-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 53598963
[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-1H-pyrazol-4-yl)methanone
CID 53613637
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 56788402
5-cyclopropyl-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1H-pyrazole-3-carboxamide
CID 91923176
5-[(2,6-dimethoxy-4-pyrimidinyl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 28310630
[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 66748240
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)(4-((2-methoxypyrimidin-4-yl)oxy)piperidin-1-yl)methanone
CID 121161197
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)(4-(pyrimidin-4-yloxy)piperidin-1-yl)methanone
CID 121161773
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)(4-((2-methylpyrimidin-4-yl)oxy)piperidin-1-yl)methanone
CID 121162348

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone (CID 56796323) is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone is COc1ccnc(N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is RSDWBUUUFMCWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-24-14-4-5-17-16(18-14)22-8-6-21(7-9-22)15(23)13-10-12(19-20-13)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,20).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 328.38 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56796323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).