1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone

C12H15N5O — CID 103115712

IUPAC1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
SMILESO=C(c1cnn2ccncc12)N1CCCNCC1
InChIInChI=1S/C12H15N5O/c18-12(16-5-1-2-13-3-6-16)10-8-15-17-7-4-14-9-11(10)17/h4,7-9,13H,1-3,5-6H2
InChIKeyAAWFNRJLJPUZAO-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.16
Rot. Bonds1

About 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone

1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone (PubChem CID 103115712) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
PubChem CID103115712
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
SMILESO=C(c1cnn2ccncc12)N1CCCNCC1
InChIInChI=1S/C12H15N5O/c18-12(16-5-1-2-13-3-6-16)10-8-15-17-7-4-14-9-11(10)17/h4,7-9,13H,1-3,5-6H2
InChIKeyAAWFNRJLJPUZAO-UHFFFAOYSA-N
XLogP0.16
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride
CID 119414481
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
CID 103120918
(2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120855
3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid
CID 103116765
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
[4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120736
2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103116719
(3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one
CID 138024647
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103121075
N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103121083
2-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-8-one
CID 139001065

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone?
The IUPAC name of 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone (CID 103115712) is 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone.
What is the SMILES notation for 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone?
The canonical SMILES for 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone is O=C(c1cnn2ccncc12)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone?
The InChIKey is AAWFNRJLJPUZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c18-12(16-5-1-2-13-3-6-16)10-8-15-17-7-4-14-9-11(10)17/h4,7-9,13H,1-3,5-6H2.
What are the key properties of 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone?
1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone has a molecular weight of 245.29 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone is sourced from PubChem (CID 103115712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).