2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C12H15N5O2 — CID 175860357

IUPAC2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(N2CCC[C@H](O)C2)nn2cccnc12
InChIInChI=1S/C12H15N5O2/c13-10(19)9-11-14-4-2-6-17(11)15-12(9)16-5-1-3-8(18)7-16/h2,4,6,8,18H,1,3,5,7H2,(H2,13,19)/t8-/m0/s1
InChIKeyOHZYXSWMRLROSO-QMMMGPOBSA-N
MW261.28 g/mol
LogP-0.21
Rot. Bonds2

About 2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 175860357) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID175860357
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(N2CCC[C@H](O)C2)nn2cccnc12
InChIInChI=1S/C12H15N5O2/c13-10(19)9-11-14-4-2-6-17(11)15-12(9)16-5-1-3-8(18)7-16/h2,4,6,8,18H,1,3,5,7H2,(H2,13,19)/t8-/m0/s1
InChIKeyOHZYXSWMRLROSO-QMMMGPOBSA-N
XLogP-0.21
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 175860357) is 2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1c(N2CCC[C@H](O)C2)nn2cccnc12.
What is the InChIKey of 2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OHZYXSWMRLROSO-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N5O2/c13-10(19)9-11-14-4-2-6-17(11)15-12(9)16-5-1-3-8(18)7-16/h2,4,6,8,18H,1,3,5,7H2,(H2,13,19)/t8-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 175860357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).