(4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C14H18N6O — CID 110854966

IUPAC(4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1[nH]nc(C(=O)N2CCN(c3ncccn3)CC2)c1C
InChIInChI=1S/C14H18N6O/c1-10-11(2)17-18-12(10)13(21)19-6-8-20(9-7-19)14-15-4-3-5-16-14/h3-5H,6-9H2,1-2H3,(H,17,18)
InChIKeyPUVWVDDHJHJMFN-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.78
Rot. Bonds2

About (4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 110854966) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is (4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID110854966
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name(4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1[nH]nc(C(=O)N2CCN(c3ncccn3)CC2)c1C
InChIInChI=1S/C14H18N6O/c1-10-11(2)17-18-12(10)13(21)19-6-8-20(9-7-19)14-15-4-3-5-16-14/h3-5H,6-9H2,1-2H3,(H,17,18)
InChIKeyPUVWVDDHJHJMFN-UHFFFAOYSA-N
XLogP0.78
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
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(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
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(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 110854966) is (4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1[nH]nc(C(=O)N2CCN(c3ncccn3)CC2)c1C.
What is the InChIKey of (4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is PUVWVDDHJHJMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10-11(2)17-18-12(10)13(21)19-6-8-20(9-7-19)14-15-4-3-5-16-14/h3-5H,6-9H2,1-2H3,(H,17,18).
What are the key properties of (4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 286.34 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110854966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).