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

C17H20N8O — CID 126787235

IUPAC(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1nn(C)c(-n2cccn2)c1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20N8O/c1-13-14(15(22(2)21-13)25-8-4-7-20-25)16(26)23-9-11-24(12-10-23)17-18-5-3-6-19-17/h3-8H,9-12H2,1-2H3
InChIKeyWPGMCZMOXBICFX-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.67
Rot. Bonds3

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

(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 126787235) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID126787235
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1nn(C)c(-n2cccn2)c1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20N8O/c1-13-14(15(22(2)21-13)25-8-4-7-20-25)16(26)23-9-11-24(12-10-23)17-18-5-3-6-19-17/h3-8H,9-12H2,1-2H3
InChIKeyWPGMCZMOXBICFX-UHFFFAOYSA-N
XLogP0.67
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

3-(Pyrimidin-5-ylamino)-6-pyrrolidin-1-yl-pyrazine-2-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 58548144
US10155765, Example 31
CID 121493987
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181640
4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-(2H-triazol-4-yl)pyrido[4,3-d]pyrimidin-5-one
CID 168287402
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181639
4-[(1-Methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-(1-methyltriazol-4-yl)pyrido[4,3-d]pyrimidin-5-one
CID 168281588
US10329294, Example 216
CID 122516491
US10329294, Example 298
CID 122516516
US10329294, Example 93
CID 122516545
US10329294, Example 75
CID 122516586
US10329294, Example 30
CID 122516592
US10329294, Example 46
CID 122516631

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 126787235) is (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WPGMCZMOXBICFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-13-14(15(22(2)21-13)25-8-4-7-20-25)16(26)23-9-11-24(12-10-23)17-18-5-3-6-19-17/h3-8H,9-12H2,1-2H3.
What are the key properties of (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 352.40 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 126787235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).