3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol

C15H23N5O — CID 136710288

IUPAC3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol
SMILESCc1nn(C)c(C)c1C1CCNc2c(CCCO)cnn21
InChIInChI=1S/C15H23N5O/c1-10-14(11(2)19(3)18-10)13-6-7-16-15-12(5-4-8-21)9-17-20(13)15/h9,13,16,21H,4-8H2,1-3H3
InChIKeyGHXBLFYCYFSKFR-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.56
Rot. Bonds4

About 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol

3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol (PubChem CID 136710288) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol
PubChem CID136710288
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol
SMILESCc1nn(C)c(C)c1C1CCNc2c(CCCO)cnn21
InChIInChI=1S/C15H23N5O/c1-10-14(11(2)19(3)18-10)13-6-7-16-15-12(5-4-8-21)9-17-20(13)15/h9,13,16,21H,4-8H2,1-3H3
InChIKeyGHXBLFYCYFSKFR-UHFFFAOYSA-N
XLogP1.56
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol?
The IUPAC name of 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol (CID 136710288) is 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol is Cc1nn(C)c(C)c1C1CCNc2c(CCCO)cnn21.
What is the InChIKey of 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol?
The InChIKey is GHXBLFYCYFSKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10-14(11(2)19(3)18-10)13-6-7-16-15-12(5-4-8-21)9-17-20(13)15/h9,13,16,21H,4-8H2,1-3H3.
What are the key properties of 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol?
3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol has a molecular weight of 289.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol is sourced from PubChem (CID 136710288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).