N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide

C17H23N5O — CID 134796951

IUPACN-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide
SMILESO=C(NCC1CCCCC1)C1CN(c2ccnc3ccnn23)C1
InChIInChI=1S/C17H23N5O/c23-17(19-10-13-4-2-1-3-5-13)14-11-21(12-14)16-7-8-18-15-6-9-20-22(15)16/h6-9,13-14H,1-5,10-12H2,(H,19,23)
InChIKeyWMCIEJOAYLZCJZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.86
Rot. Bonds4

About N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide

N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide (PubChem CID 134796951) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide
PubChem CID134796951
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide
SMILESO=C(NCC1CCCCC1)C1CN(c2ccnc3ccnn23)C1
InChIInChI=1S/C17H23N5O/c23-17(19-10-13-4-2-1-3-5-13)14-11-21(12-14)16-7-8-18-15-6-9-20-22(15)16/h6-9,13-14H,1-5,10-12H2,(H,19,23)
InChIKeyWMCIEJOAYLZCJZ-UHFFFAOYSA-N
XLogP1.86
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-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-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide (CID 134796951) is N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide is O=C(NCC1CCCCC1)C1CN(c2ccnc3ccnn23)C1.
What is the InChIKey of N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide?
The InChIKey is WMCIEJOAYLZCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c23-17(19-10-13-4-2-1-3-5-13)14-11-21(12-14)16-7-8-18-15-6-9-20-22(15)16/h6-9,13-14H,1-5,10-12H2,(H,19,23).
What are the key properties of N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide?
N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide is sourced from PubChem (CID 134796951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).