1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone

C17H20N6O — CID 110132835

IUPAC1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1cc(C2CCN(C(=O)Cn3cccn3)CC2)nc2ccnn12
InChIInChI=1S/C17H20N6O/c1-13-11-15(20-16-3-7-19-23(13)16)14-4-9-21(10-5-14)17(24)12-22-8-2-6-18-22/h2-3,6-8,11,14H,4-5,9-10,12H2,1H3
InChIKeyQIOUIGVQNAZKRR-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.64
Rot. Bonds3

About 1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone

1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 110132835) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID110132835
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1cc(C2CCN(C(=O)Cn3cccn3)CC2)nc2ccnn12
InChIInChI=1S/C17H20N6O/c1-13-11-15(20-16-3-7-19-23(13)16)14-4-9-21(10-5-14)17(24)12-22-8-2-6-18-22/h2-3,6-8,11,14H,4-5,9-10,12H2,1H3
InChIKeyQIOUIGVQNAZKRR-UHFFFAOYSA-N
XLogP1.64
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-imidazol-1-yl-1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]propan-1-one
CID 110132773
5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 63823374
2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone
CID 124972625
1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110093556
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132853
1-[2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-2-pyrazol-1-ylethanone
CID 110271881
1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-2-pyrazol-1-ylethanone
CID 121191984
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 90566486
1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 92576779
4-ethyl-2-(2-methoxyethyl)-5-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115281
1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823308
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 56822661

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone (CID 110132835) is 1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone is Cc1cc(C2CCN(C(=O)Cn3cccn3)CC2)nc2ccnn12.
What is the InChIKey of 1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is QIOUIGVQNAZKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-13-11-15(20-16-3-7-19-23(13)16)14-4-9-21(10-5-14)17(24)12-22-8-2-6-18-22/h2-3,6-8,11,14H,4-5,9-10,12H2,1H3.
What are the key properties of 1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone?
1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 324.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 110132835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).