N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide

C17H23N5O — CID 134795993

IUPACN-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CN(c2ccnc3ccnn23)C1
InChIInChI=1S/C17H23N5O/c23-17(20-14-5-3-1-2-4-6-14)13-11-21(12-13)16-8-9-18-15-7-10-19-22(15)16/h7-10,13-14H,1-6,11-12H2,(H,20,23)
InChIKeyXVJAWPCLANKADR-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.00
Rot. Bonds3

About N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide

N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide (PubChem CID 134795993) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide
PubChem CID134795993
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CN(c2ccnc3ccnn23)C1
InChIInChI=1S/C17H23N5O/c23-17(20-14-5-3-1-2-4-6-14)13-11-21(12-13)16-8-9-18-15-7-10-19-22(15)16/h7-10,13-14H,1-6,11-12H2,(H,20,23)
InChIKeyXVJAWPCLANKADR-UHFFFAOYSA-N
XLogP2.00
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)cyclopentanecarboxamide
CID 134798024
piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134797898
2,2-dimethyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)propanamide
CID 134796895
N-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110848067
N-cyclohexyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171797
N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134796592
(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134798658
N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384630
2-(4-methoxyphenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide
CID 134798208
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 134799593
1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 171993207

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide (CID 134795993) is N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide is O=C(NC1CCCCCC1)C1CN(c2ccnc3ccnn23)C1.
What is the InChIKey of N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide?
The InChIKey is XVJAWPCLANKADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c23-17(20-14-5-3-1-2-4-6-14)13-11-21(12-13)16-8-9-18-15-7-10-19-22(15)16/h7-10,13-14H,1-6,11-12H2,(H,20,23).
What are the key properties of N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide?
N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide is sourced from PubChem (CID 134795993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).