5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide

C16H17ClN4O2 — CID 154766632

IUPAC5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1COC2(CNC2)C1)c1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-13-4-2-1-3-11(13)14-12(6-19-21-14)15(22)20-10-5-16(23-7-10)8-18-9-16/h1-4,6,10,18H,5,7-9H2,(H,19,21)(H,20,22)
InChIKeyBRJKUJDFWKOTPO-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.59
Rot. Bonds3

About 5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide

5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide (PubChem CID 154766632) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide
PubChem CID154766632
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1COC2(CNC2)C1)c1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-13-4-2-1-3-11(13)14-12(6-19-21-14)15(22)20-10-5-16(23-7-10)8-18-9-16/h1-4,6,10,18H,5,7-9H2,(H,19,21)(H,20,22)
InChIKeyBRJKUJDFWKOTPO-UHFFFAOYSA-N
XLogP1.59
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 16332268
1-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylpyrazole-4-carboxamide
CID 4792414
N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(3-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 166206965
N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 166206969
N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 166206978
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 172445922
N-[(1S)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 172455740
N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 129403639
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 164640979
N-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 123777038
N-[1-(2,4-dichlorophenyl)-3-methoxypropan-2-yl]-5-(2,2-difluoroethyl)-1H-pyrazole-4-carboxamide
CID 156156128
5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-carboxamide
CID 24595128

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide (CID 154766632) is 5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide is O=C(NC1COC2(CNC2)C1)c1cn[nH]c1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is BRJKUJDFWKOTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-13-4-2-1-3-11(13)14-12(6-19-21-14)15(22)20-10-5-16(23-7-10)8-18-9-16/h1-4,6,10,18H,5,7-9H2,(H,19,21)(H,20,22).
What are the key properties of 5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide?
5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154766632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).