1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone

C15H19N5O2 — CID 134794560

IUPAC1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(C(=O)c2cnc3cc(C)nn3c2)CC1
InChIInChI=1S/C15H19N5O2/c1-11-8-14-16-9-13(10-20(14)17-11)15(22)19-5-3-4-18(6-7-19)12(2)21/h8-10H,3-7H2,1-2H3
InChIKeyKDJVVXKBCCXVJJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.73
Rot. Bonds1

About 1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone

1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone (PubChem CID 134794560) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone
PubChem CID134794560
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(C(=O)c2cnc3cc(C)nn3c2)CC1
InChIInChI=1S/C15H19N5O2/c1-11-8-14-16-9-13(10-20(14)17-11)15(22)19-5-3-4-18(6-7-19)12(2)21/h8-10H,3-7H2,1-2H3
InChIKeyKDJVVXKBCCXVJJ-UHFFFAOYSA-N
XLogP0.73
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone (CID 134794560) is 1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCCN(C(=O)c2cnc3cc(C)nn3c2)CC1.
What is the InChIKey of 1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is KDJVVXKBCCXVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-11-8-14-16-9-13(10-20(14)17-11)15(22)19-5-3-4-18(6-7-19)12(2)21/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone?
1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 301.35 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 134794560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).