N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide

C15H17ClN4O2 — CID 118903534

IUPACN-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccc(OC3CNC3)cc2)n1
InChIInChI=1S/C15H17ClN4O2/c1-2-20-9-13(16)14(19-20)15(21)18-10-3-5-11(6-4-10)22-12-7-17-8-12/h3-6,9,12,17H,2,7-8H2,1H3,(H,18,21)
InChIKeyNEZWKTGAWZLPJC-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.16
Rot. Bonds5

About N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide

N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide (PubChem CID 118903534) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide
PubChem CID118903534
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC NameN-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccc(OC3CNC3)cc2)n1
InChIInChI=1S/C15H17ClN4O2/c1-2-20-9-13(16)14(19-20)15(21)18-10-3-5-11(6-4-10)22-12-7-17-8-12/h3-6,9,12,17H,2,7-8H2,1H3,(H,18,21)
InChIKeyNEZWKTGAWZLPJC-UHFFFAOYSA-N
XLogP2.16
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 5296270
4-chloro-2-ethyl-N-(2-methoxy-5-nitrophenyl)pyrazole-3-carboxamide
CID 831843
4-Chloro-N-(3,4-dimethoxyphenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 1511740
N-(3-{N-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-phenoxyacetamide
CID 9622208
4-chloro-N-(4-methoxy-2-methylphenyl)-2-methylpyrazole-3-carboxamide
CID 1223840
4-Amino-2-methyl-2H-pyrazole-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 913152
4-bromo-N-(4-ethoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 659584
US10023559, Example 17
CID 118903343
N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 118903369
US10023559, Example 40
CID 118903524
US10023559, Example 21
CID 118903535
US10023559, Example 43
CID 118903633

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide (CID 118903534) is N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)Nc2ccc(OC3CNC3)cc2)n1.
What is the InChIKey of N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide?
The InChIKey is NEZWKTGAWZLPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-2-20-9-13(16)14(19-20)15(21)18-10-3-5-11(6-4-10)22-12-7-17-8-12/h3-6,9,12,17H,2,7-8H2,1H3,(H,18,21).
What are the key properties of N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide?
N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 118903534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).