4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine

C19H29N7 — CID 166604678

IUPAC4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine
SMILESCc1cc(CN2CCN(c3cc(N4CCCCC4)ncn3)CC2)nn1C
InChIInChI=1S/C19H29N7/c1-16-12-17(22-23(16)2)14-24-8-10-26(11-9-24)19-13-18(20-15-21-19)25-6-4-3-5-7-25/h12-13,15H,3-11,14H2,1-2H3
InChIKeyHGYFOSACTZNGMD-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.83
Rot. Bonds4

About 4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine

4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine (PubChem CID 166604678) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine
PubChem CID166604678
Molecular FormulaC19H29N7
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC Name4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine
SMILESCc1cc(CN2CCN(c3cc(N4CCCCC4)ncn3)CC2)nn1C
InChIInChI=1S/C19H29N7/c1-16-12-17(22-23(16)2)14-24-8-10-26(11-9-24)19-13-18(20-15-21-19)25-6-4-3-5-7-25/h12-13,15H,3-11,14H2,1-2H3
InChIKeyHGYFOSACTZNGMD-UHFFFAOYSA-N
XLogP1.83
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine (CID 166604678) is 4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine is Cc1cc(CN2CCN(c3cc(N4CCCCC4)ncn3)CC2)nn1C.
What is the InChIKey of 4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
The InChIKey is HGYFOSACTZNGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7/c1-16-12-17(22-23(16)2)14-24-8-10-26(11-9-24)19-13-18(20-15-21-19)25-6-4-3-5-7-25/h12-13,15H,3-11,14H2,1-2H3.
What are the key properties of 4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine has a molecular weight of 355.49 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 166604678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).