N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H23N5O2 — CID 110127885

IUPACN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1cnn2cccnc12
InChIInChI=1S/C17H23N5O2/c23-15-13(5-3-6-14(15)21-8-1-2-9-21)20-17(24)12-11-19-22-10-4-7-18-16(12)22/h4,7,10-11,13-15,23H,1-3,5-6,8-9H2,(H,20,24)/t13-,14-,15-/m1/s1
InChIKeyCZFMBYJSYWXFPN-RBSFLKMASA-N
MW329.40 g/mol
LogP0.84
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110127885) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110127885
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1cnn2cccnc12
InChIInChI=1S/C17H23N5O2/c23-15-13(5-3-6-14(15)21-8-1-2-9-21)20-17(24)12-11-19-22-10-4-7-18-16(12)22/h4,7,10-11,13-15,23H,1-3,5-6,8-9H2,(H,20,24)/t13-,14-,15-/m1/s1
InChIKeyCZFMBYJSYWXFPN-RBSFLKMASA-N
XLogP0.84
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110127885) is N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1cnn2cccnc12.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CZFMBYJSYWXFPN-RBSFLKMASA-N. The full InChI is InChI=1S/C17H23N5O2/c23-15-13(5-3-6-14(15)21-8-1-2-9-21)20-17(24)12-11-19-22-10-4-7-18-16(12)22/h4,7,10-11,13-15,23H,1-3,5-6,8-9H2,(H,20,24)/t13-,14-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110127885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).