2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one

C15H21N5O — CID 134799370

IUPAC2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C15H21N5O/c1-12(2)15(21)19-9-3-8-18(10-11-19)14-5-6-16-13-4-7-17-20(13)14/h4-7,12H,3,8-11H2,1-2H3
InChIKeyWRVUZEWFCKHIDN-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.42
Rot. Bonds2

About 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one

2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one (PubChem CID 134799370) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one
PubChem CID134799370
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C15H21N5O/c1-12(2)15(21)19-9-3-8-18(10-11-19)14-5-6-16-13-4-7-17-20(13)14/h4-7,12H,3,8-11H2,1-2H3
InChIKeyWRVUZEWFCKHIDN-UHFFFAOYSA-N
XLogP1.42
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one (CID 134799370) is 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one is CC(C)C(=O)N1CCCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one?
The InChIKey is WRVUZEWFCKHIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12(2)15(21)19-9-3-8-18(10-11-19)14-5-6-16-13-4-7-17-20(13)14/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one?
2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one has a molecular weight of 287.37 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one is sourced from PubChem (CID 134799370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).