[4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone

C14H19N5O — CID 103120736

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESCC(N)C1CCN(C(=O)c2cnn3ccncc23)CC1
InChIInChI=1S/C14H19N5O/c1-10(15)11-2-5-18(6-3-11)14(20)12-8-17-19-7-4-16-9-13(12)19/h4,7-11H,2-3,5-6,15H2,1H3
InChIKeyVCTNIXQPRUAENN-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.93
Rot. Bonds2

About [4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone

[4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone (PubChem CID 103120736) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
PubChem CID103120736
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESCC(N)C1CCN(C(=O)c2cnn3ccncc23)CC1
InChIInChI=1S/C14H19N5O/c1-10(15)11-2-5-18(6-3-11)14(20)12-8-17-19-7-4-16-9-13(12)19/h4,7-11H,2-3,5-6,15H2,1H3
InChIKeyVCTNIXQPRUAENN-UHFFFAOYSA-N
XLogP0.93
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.93
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
(3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120388
1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
CID 103115712
[2-(2-hydroxypropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120401
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
[4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone
CID 119518724
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 119260468
2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103116719
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103121075
3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid
CID 103116765
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone (CID 103120736) is [4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone is CC(N)C1CCN(C(=O)c2cnn3ccncc23)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The InChIKey is VCTNIXQPRUAENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10(15)11-2-5-18(6-3-11)14(20)12-8-17-19-7-4-16-9-13(12)19/h4,7-11H,2-3,5-6,15H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
[4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone has a molecular weight of 273.34 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone is sourced from PubChem (CID 103120736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).