N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide

C19H17Cl2N5O2 — CID 167870668

IUPACN'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide
SMILESO=C(Nc1cnn2cccnc12)C(=O)NC1(Cc2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C19H17Cl2N5O2/c20-13-4-3-12(14(21)9-13)10-19(5-1-6-19)25-18(28)17(27)24-15-11-23-26-8-2-7-22-16(15)26/h2-4,7-9,11H,1,5-6,10H2,(H,24,27)(H,25,28)
InChIKeyALXBDOMVHCZFMF-UHFFFAOYSA-N
MW418.28 g/mol
LogP3.26
Rot. Bonds4

About N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide

N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide (PubChem CID 167870668) has the molecular formula C19H17Cl2N5O2 and a molecular weight of 418.28 g/mol. Its IUPAC name is N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide.

Molecular Properties

Compound NameN'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide
PubChem CID167870668
Molecular FormulaC19H17Cl2N5O2
Molecular Weight418.28 g/mol
Exact Mass417.08
IUPAC NameN'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide
SMILESO=C(Nc1cnn2cccnc12)C(=O)NC1(Cc2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C19H17Cl2N5O2/c20-13-4-3-12(14(21)9-13)10-19(5-1-6-19)25-18(28)17(27)24-15-11-23-26-8-2-7-22-16(15)26/h2-4,7-9,11H,1,5-6,10H2,(H,24,27)(H,25,28)
InChIKeyALXBDOMVHCZFMF-UHFFFAOYSA-N
XLogP3.26
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide
CID 166332599
methyl 5-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]-1-methylpyrazole-4-carboxylate
CID 166332702
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide
CID 166332692
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]oxamide
CID 167981612
methyl 5-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]-2-methylpyridine-3-carboxylate
CID 166332606
methyl 3-[4-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]phenyl]propanoate
CID 167764169
2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide
CID 166332649
4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide
CID 166315563
N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056141
N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide
CID 166332653
2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide
CID 172559550
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55820641

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide?
The IUPAC name of N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide (CID 167870668) is N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide.
What is the SMILES notation for N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide?
The canonical SMILES for N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide is O=C(Nc1cnn2cccnc12)C(=O)NC1(Cc2ccc(Cl)cc2Cl)CCC1.
What is the InChIKey of N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide?
The InChIKey is ALXBDOMVHCZFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O2/c20-13-4-3-12(14(21)9-13)10-19(5-1-6-19)25-18(28)17(27)24-15-11-23-26-8-2-7-22-16(15)26/h2-4,7-9,11H,1,5-6,10H2,(H,24,27)(H,25,28).
What are the key properties of N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide?
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide has a molecular weight of 418.28 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide is sourced from PubChem (CID 167870668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).