(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C19H24N6O — CID 95221617

IUPAC(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc(C)n3nc(C)cc3n2)C1
InChIInChI=1S/C19H24N6O/c1-4-14-10-20-22-18(14)15-6-5-7-24(11-15)19(26)16-9-13(3)25-17(21-16)8-12(2)23-25/h8-10,15H,4-7,11H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyAECMGHNEWOLHQU-HNNXBMFYSA-N
MW352.44 g/mol
LogP2.65
Rot. Bonds3

About (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95221617) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95221617
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc(C)n3nc(C)cc3n2)C1
InChIInChI=1S/C19H24N6O/c1-4-14-10-20-22-18(14)15-6-5-7-24(11-15)19(26)16-9-13(3)25-17(21-16)8-12(2)23-25/h8-10,15H,4-7,11H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyAECMGHNEWOLHQU-HNNXBMFYSA-N
XLogP2.65
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95221617) is (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc(C)n3nc(C)cc3n2)C1.
What is the InChIKey of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is AECMGHNEWOLHQU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-4-14-10-20-22-18(14)15-6-5-7-24(11-15)19(26)16-9-13(3)25-17(21-16)8-12(2)23-25/h8-10,15H,4-7,11H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 352.44 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95221617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).