1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol

C19H29N7O — CID 59438239

IUPAC1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol
SMILESCc1c(CN2CCN(c3nccnc3N3CCC(O)CC3)CC2)cnn1C
InChIInChI=1S/C19H29N7O/c1-15-16(13-22-23(15)2)14-24-9-11-26(12-10-24)19-18(20-5-6-21-19)25-7-3-17(27)4-8-25/h5-6,13,17,27H,3-4,7-12,14H2,1-2H3
InChIKeyCUUGLDZDBHQLDM-UHFFFAOYSA-N
MW371.49 g/mol
LogP0.80
Rot. Bonds4

About 1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol

1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol (PubChem CID 59438239) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol
PubChem CID59438239
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol
SMILESCc1c(CN2CCN(c3nccnc3N3CCC(O)CC3)CC2)cnn1C
InChIInChI=1S/C19H29N7O/c1-15-16(13-22-23(15)2)14-24-9-11-26(12-10-24)19-18(20-5-6-21-19)25-7-3-17(27)4-8-25/h5-6,13,17,27H,3-4,7-12,14H2,1-2H3
InChIKeyCUUGLDZDBHQLDM-UHFFFAOYSA-N
XLogP0.80
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol (CID 59438239) is 1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol is Cc1c(CN2CCN(c3nccnc3N3CCC(O)CC3)CC2)cnn1C.
What is the InChIKey of 1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol?
The InChIKey is CUUGLDZDBHQLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-15-16(13-22-23(15)2)14-24-9-11-26(12-10-24)19-18(20-5-6-21-19)25-7-3-17(27)4-8-25/h5-6,13,17,27H,3-4,7-12,14H2,1-2H3.
What are the key properties of 1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol?
1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol has a molecular weight of 371.49 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol is sourced from PubChem (CID 59438239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).