[(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol

C14H20N4O2 — CID 95882578

IUPAC[(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
SMILESCOCc1cc(N2CCC[C@@H](CO)C2)n2nccc2n1
InChIInChI=1S/C14H20N4O2/c1-20-10-12-7-14(18-13(16-12)4-5-15-18)17-6-2-3-11(8-17)9-19/h4-5,7,11,19H,2-3,6,8-10H2,1H3/t11-/m1/s1
InChIKeyZCEDAKWMLVBCNC-LLVKDONJSA-N
MW276.34 g/mol
LogP1.08
Rot. Bonds4

About [(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol

[(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol (PubChem CID 95882578) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
PubChem CID95882578
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name[(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
SMILESCOCc1cc(N2CCC[C@@H](CO)C2)n2nccc2n1
InChIInChI=1S/C14H20N4O2/c1-20-10-12-7-14(18-13(16-12)4-5-15-18)17-6-2-3-11(8-17)9-19/h4-5,7,11,19H,2-3,6,8-10H2,1H3/t11-/m1/s1
InChIKeyZCEDAKWMLVBCNC-LLVKDONJSA-N
XLogP1.08
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
CID 95882577
7-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
CID 95891689
2-[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine
CID 56917535
7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 163343464
[1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanamine
CID 56888286
4-tert-butyl-N-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide
CID 70961385
4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136847948
(3R,4S)-4-[4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]oxolan-3-ol
CID 70745702
[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 86329185
5-ethyl-7-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
CID 70723679
1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207030
[(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95723617

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol (CID 95882578) is [(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol is COCc1cc(N2CCC[C@@H](CO)C2)n2nccc2n1.
What is the InChIKey of [(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
The InChIKey is ZCEDAKWMLVBCNC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-10-12-7-14(18-13(16-12)4-5-15-18)17-6-2-3-11(8-17)9-19/h4-5,7,11,19H,2-3,6,8-10H2,1H3/t11-/m1/s1.
What are the key properties of [(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
[(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol has a molecular weight of 276.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 95882578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).