cyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol

C19H27N5O — CID 90648543

IUPACcyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCC(C)c1nccc(CN2CCCn3nc(C(O)C4CC4)cc3C2)n1
InChIInChI=1S/C19H27N5O/c1-13(2)19-20-7-6-15(21-19)11-23-8-3-9-24-16(12-23)10-17(22-24)18(25)14-4-5-14/h6-7,10,13-14,18,25H,3-5,8-9,11-12H2,1-2H3
InChIKeyCAAXIUKGRBUOBJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.65
Rot. Bonds5

About cyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol

cyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (PubChem CID 90648543) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is cyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
PubChem CID90648543
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Namecyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCC(C)c1nccc(CN2CCCn3nc(C(O)C4CC4)cc3C2)n1
InChIInChI=1S/C19H27N5O/c1-13(2)19-20-7-6-15(21-19)11-23-8-3-9-24-16(12-23)10-17(22-24)18(25)14-4-5-14/h6-7,10,13-14,18,25H,3-5,8-9,11-12H2,1-2H3
InChIKeyCAAXIUKGRBUOBJ-UHFFFAOYSA-N
XLogP2.65
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The IUPAC name of cyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (CID 90648543) is cyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.
What is the SMILES notation for cyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The canonical SMILES for cyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is CC(C)c1nccc(CN2CCCn3nc(C(O)C4CC4)cc3C2)n1.
What is the InChIKey of cyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The InChIKey is CAAXIUKGRBUOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13(2)19-20-7-6-15(21-19)11-23-8-3-9-24-16(12-23)10-17(22-24)18(25)14-4-5-14/h6-7,10,13-14,18,25H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of cyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
cyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol has a molecular weight of 341.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is sourced from PubChem (CID 90648543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).