N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H21N5O3 — CID 110127519

IUPACN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O)c1cnn2cccnc12
InChIInChI=1S/C16H21N5O3/c22-14-12(2-3-13(14)20-6-8-24-9-7-20)19-16(23)11-10-18-21-5-1-4-17-15(11)21/h1,4-5,10,12-14,22H,2-3,6-9H2,(H,19,23)/t12-,13-,14-/m1/s1
InChIKeyYVRMVAJOLGWOSZ-MGPQQGTHSA-N
MW331.38 g/mol
LogP-0.32
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110127519) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110127519
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O)c1cnn2cccnc12
InChIInChI=1S/C16H21N5O3/c22-14-12(2-3-13(14)20-6-8-24-9-7-20)19-16(23)11-10-18-21-5-1-4-17-15(11)21/h1,4-5,10,12-14,22H,2-3,6-9H2,(H,19,23)/t12-,13-,14-/m1/s1
InChIKeyYVRMVAJOLGWOSZ-MGPQQGTHSA-N
XLogP-0.32
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110127519) is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O)c1cnn2cccnc12.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YVRMVAJOLGWOSZ-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H21N5O3/c22-14-12(2-3-13(14)20-6-8-24-9-7-20)19-16(23)11-10-18-21-5-1-4-17-15(11)21/h1,4-5,10,12-14,22H,2-3,6-9H2,(H,19,23)/t12-,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110127519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).