[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

C19H24N6O2 — CID 95206897

IUPAC[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cnn3cc(CCO)cnc23)C1
InChIInChI=1S/C19H24N6O2/c1-2-14-9-21-23-17(14)15-4-3-6-24(12-15)19(27)16-10-22-25-11-13(5-7-26)8-20-18(16)25/h8-11,15,26H,2-7,12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyLSRNNETVHZMONF-HNNXBMFYSA-N
MW368.44 g/mol
LogP1.57
Rot. Bonds5

About [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 95206897) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID95206897
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cnn3cc(CCO)cnc23)C1
InChIInChI=1S/C19H24N6O2/c1-2-14-9-21-23-17(14)15-4-3-6-24(12-15)19(27)16-10-22-25-11-13(5-7-26)8-20-18(16)25/h8-11,15,26H,2-7,12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyLSRNNETVHZMONF-HNNXBMFYSA-N
XLogP1.57
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95398964
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 56702644
4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95219910
(1S,6R)-9-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 56709865
1-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 95214259
[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95221550
1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 126466575
[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 95212418
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95222680
azonan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 56711222
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56755087
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95204288

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 95206897) is [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cnn3cc(CCO)cnc23)C1.
What is the InChIKey of [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is LSRNNETVHZMONF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-2-14-9-21-23-17(14)15-4-3-6-24(12-15)19(27)16-10-22-25-11-13(5-7-26)8-20-18(16)25/h8-11,15,26H,2-7,12H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 95206897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).